N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C23H35N5O4S — CID 5307756

IUPACN-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H35N5O4S/c1-17(2)20-6-8-21(9-7-20)28(33(30,31)23-18(3)25-26(5)19(23)4)16-22(29)24-10-11-27-12-14-32-15-13-27/h6-9,17H,10-16H2,1-5H3,(H,24,29)
InChIKeyQQYYEVUOOKLAJM-UHFFFAOYSA-N
MW477.63 g/mol
LogP1.80
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 5307756) has the molecular formula C23H35N5O4S and a molecular weight of 477.63 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID5307756
Molecular FormulaC23H35N5O4S
Molecular Weight477.63 g/mol
Exact Mass477.24
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H35N5O4S/c1-17(2)20-6-8-21(9-7-20)28(33(30,31)23-18(3)25-26(5)19(23)4)16-22(29)24-10-11-27-12-14-32-15-13-27/h6-9,17H,10-16H2,1-5H3,(H,24,29)
InChIKeyQQYYEVUOOKLAJM-UHFFFAOYSA-N
XLogP1.80
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]acetamide
CID 2559924
N-[2-(4-methylphenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307103
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3,5-trimethyl-N-(4-methylphenyl)pyrazole-4-sulfonamide
CID 5309115
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9550907
N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3,5-trimethyl-N-(4-propan-2-ylphenyl)pyrazole-4-sulfonamide
CID 9551544
1,3,5-Trimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-N-[4-(propan-2-YL)phenyl]-1H-pyrazole-4-sulfonamide
CID 16009277
N-(2-methylcyclohexyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858730
2-[4-(dimethylsulfamoyl)-3,5-dimethylpyrazol-1-yl]-N-(4-methylphenyl)acetamide
CID 2558400
2-(5-(4-(Dimethylamino)phenyl)-3-phenyl-1Hpyrazol-1-yl)-N-(4-sulfamoylphenyl)acetamide (15)
CID 86766214
N-(1-phenylethyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 5307629
N-(2,4-difluorophenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 16009273
Ethyl 4-(2-{N-[4-(propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamido)piperidine-1-carboxylate
CID 24789618

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 5307756) is N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is QQYYEVUOOKLAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4S/c1-17(2)20-6-8-21(9-7-20)28(33(30,31)23-18(3)25-26(5)19(23)4)16-22(29)24-10-11-27-12-14-32-15-13-27/h6-9,17H,10-16H2,1-5H3,(H,24,29).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 477.63 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 5307756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).