1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea

C93H114N18O14S3 — CID 159629684

IUPAC1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
SMILES[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1.[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C33H36N6O4S.C32H40N6O5S.C28H38N6O5S/c1-5-43-44(34,41)25-12-10-24(11-13-25)39-31(22-30(38-39)33(2,3)4)37-32(40)36-28-14-15-29(27-9-7-6-8-26(27)28)42-21-18-23-16-19-35-20-17-23;1-5-43-44(33,40)24-12-10-23(11-13-24)38-30(22-29(36-38)32(2,3)4)35-31(39)34-27-14-15-28(26-9-7-6-8-25(26)27)42-21-18-37-16-19-41-20-17-37;1-5-39-40(29,36)24-12-8-22(9-13-24)34-26(20-25(32-34)28(2,3)4)31-27(35)30-21-6-10-23(11-7-21)38-19-16-33-14-17-37-18-15-33/h6-17,19-20,22,34H,5,18,21H2,1-4H3,(H2,36,37,40);6-15,22,33H,5,16-21H2,1-4H3,(H2,34,35,39);6-13,20,29H,5,14-19H2,1-4H3,(H2,30,31,35)
InChIKeyMOYNUVVWZVOQNA-UHFFFAOYSA-N
MW1804.25 g/mol
LogP18.26
Rot. Bonds30

About 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea

1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea (PubChem CID 159629684) has the molecular formula C93H114N18O14S3 and a molecular weight of 1804.25 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea.

Molecular Properties

Compound Name1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
PubChem CID159629684
Molecular FormulaC93H114N18O14S3
Molecular Weight1804.25 g/mol
Exact Mass1802.79
IUPAC Name1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
SMILES[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1.[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1
InChIInChI=1S/C33H36N6O4S.C32H40N6O5S.C28H38N6O5S/c1-5-43-44(34,41)25-12-10-24(11-13-25)39-31(22-30(38-39)33(2,3)4)37-32(40)36-28-14-15-29(27-9-7-6-8-26(27)28)42-21-18-23-16-19-35-20-17-23;1-5-43-44(33,40)24-12-10-23(11-13-24)38-30(22-29(36-38)32(2,3)4)35-31(39)34-27-14-15-28(26-9-7-6-8-25(26)27)42-21-18-37-16-19-41-20-17-37;1-5-39-40(29,36)24-12-8-22(9-13-24)34-26(20-25(32-34)28(2,3)4)31-27(35)30-21-6-10-23(11-7-21)38-19-16-33-14-17-37-18-15-33/h6-17,19-20,22,34H,5,18,21H2,1-4H3,(H2,36,37,40);6-15,22,33H,5,16-21H2,1-4H3,(H2,34,35,39);6-13,20,29H,5,14-19H2,1-4H3,(H2,30,31,35)
InChIKeyMOYNUVVWZVOQNA-UHFFFAOYSA-N
XLogP18.26
TPSA392.82 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001804.25
LogP ≤ 518.26
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Analyze 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea with MolForge

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Related Compounds

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CID 11731461
1-[3-tert-butyl-1-[3-(2-morpholin-4-ylethyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 15908533
1-[3-tert-butyl-1-(4-sulfanylphenyl)pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea
CID 70917349
1-[3-tert-butyl-1-[4-[(3,5-dioxo-1,2,4-thiadiazolidin-2-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 24986961
1-[3-tert-butyl-1-[4-(3-morpholin-4-ylpropoxy)phenyl]pyrazol-5-yl]-3-(4-pyridin-4-yloxyphenyl)urea
CID 11706834
4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide
CID 159151646
1-[3-tert-butyl-1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;N-[[4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]phenyl]methyl]-1,3,5,7-tetramethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 157210458
1-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[6-(2H-indazol-5-ylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 137045432
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1-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73296752
1-[3-tert-butyl-1-[3-(oxan-4-ylamino)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea
CID 22379829
1-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]-3-[4-[2-[(3-methyl-1H-indazol-6-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 136970219

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea?
The IUPAC name of 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea (CID 159629684) is 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea.
What is the SMILES notation for 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea?
The canonical SMILES for 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea is [H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)cc1.[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1.[H]N=S(=O)(OCC)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.
What is the InChIKey of 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea?
The InChIKey is MOYNUVVWZVOQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N6O4S.C32H40N6O5S.C28H38N6O5S/c1-5-43-44(34,41)25-12-10-24(11-13-25)39-31(22-30(38-39)33(2,3)4)37-32(40)36-28-14-15-29(27-9-7-6-8-26(27)28)42-21-18-23-16-19-35-20-17-23;1-5-43-44(33,40)24-12-10-23(11-13-24)38-30(22-29(36-38)32(2,3)4)35-31(39)34-27-14-15-28(26-9-7-6-8-25(26)27)42-21-18-37-16-19-41-20-17-37;1-5-39-40(29,36)24-12-8-22(9-13-24)34-26(20-25(32-34)28(2,3)4)31-27(35)30-21-6-10-23(11-7-21)38-19-16-33-14-17-37-18-15-33/h6-17,19-20,22,34H,5,18,21H2,1-4H3,(H2,36,37,40);6-15,22,33H,5,16-21H2,1-4H3,(H2,34,35,39);6-13,20,29H,5,14-19H2,1-4H3,(H2,30,31,35).
What are the key properties of 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea?
1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea has a molecular weight of 1804.25 g/mol, XLogP of 18.26, 30 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea;1-[3-tert-butyl-1-[4-(ethoxysulfonimidoyl)phenyl]pyrazol-5-yl]-3-[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]urea is sourced from PubChem (CID 159629684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).