2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

C24H25FN4O3S — CID 67077942

IUPAC2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(F)cc2OCc2ccccc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H25FN4O3S/c25-16-8-9-18(20(11-16)32-14-15-5-2-1-3-6-15)21-12-19(23(33-21)29-24(26)31)22(30)28-17-7-4-10-27-13-17/h1-3,5-6,8-9,11-12,17,27H,4,7,10,13-14H2,(H,28,30)(H3,26,29,31)/t17-/m0/s1
InChIKeyPOZVWNFFPLQGSE-KRWDZBQOSA-N
MW468.55 g/mol
LogP4.11
Rot. Bonds7

About 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide

2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (PubChem CID 67077942) has the molecular formula C24H25FN4O3S and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
PubChem CID67077942
Molecular FormulaC24H25FN4O3S
Molecular Weight468.55 g/mol
Exact Mass468.16
IUPAC Name2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(F)cc2OCc2ccccc2)cc1C(=O)N[C@H]1CCCNC1
InChIInChI=1S/C24H25FN4O3S/c25-16-8-9-18(20(11-16)32-14-15-5-2-1-3-6-15)21-12-19(23(33-21)29-24(26)31)22(30)28-17-7-4-10-27-13-17/h1-3,5-6,8-9,11-12,17,27H,4,7,10,13-14H2,(H,28,30)(H3,26,29,31)/t17-/m0/s1
InChIKeyPOZVWNFFPLQGSE-KRWDZBQOSA-N
XLogP4.11
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(carbamoylamino)-5-(2-fluoro-4-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077654
2-(carbamoylamino)-5-(4-fluorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11349000
N-[(3S)-azepan-3-yl]-2-(carbamoylamino)-5-(2-methoxyphenyl)thiophene-3-carboxamide
CID 174506555
2-(carbamoylamino)-5-(2,4-dichlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077105
5-(4-amino-3-fluorophenyl)-2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077870
2-(carbamoylamino)-5-[4-fluoro-3-(hydroxymethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077447
2-(carbamoylamino)-N-[(3S)-piperidin-3-yl]-5-(1H-pyrazol-4-yl)thiophene-3-carboxamide
CID 67077304
2-(carbamoylamino)-5-(4-chlorophenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 11451776
2-(carbamoylamino)-5-(3-carbamoylphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 44560523
2-(carbamoylamino)-5-[4-(cyanomethyl)phenyl]-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide
CID 67077917
2-[(4-fluorophenyl)methoxy]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450691
3-(carbamoylamino)-5-[2-(3-fluorophenyl)ethyl]-N-[(3S)-piperidin-3-yl]thiophene-2-carboxamide
CID 130358497

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide (CID 67077942) is 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(F)cc2OCc2ccccc2)cc1C(=O)N[C@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
The InChIKey is POZVWNFFPLQGSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25FN4O3S/c25-16-8-9-18(20(11-16)32-14-15-5-2-1-3-6-15)21-12-19(23(33-21)29-24(26)31)22(30)28-17-7-4-10-27-13-17/h1-3,5-6,8-9,11-12,17,27H,4,7,10,13-14H2,(H,28,30)(H3,26,29,31)/t17-/m0/s1.
What are the key properties of 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide has a molecular weight of 468.55 g/mol, XLogP of 4.11, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(4-fluoro-2-phenylmethoxyphenyl)-N-[(3S)-piperidin-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 67077942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).