3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide

C22H25N3O4S3 — CID 71661885

IUPAC3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C22H25N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h4,7,10-15,25H,1-3,5-6,8-9H2,(H,23,26)(H,24,27)
InChIKeyWAUBHBSWJBQJEK-UHFFFAOYSA-N
MW491.66 g/mol
LogP5.26
Rot. Bonds8

About 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide

3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide (PubChem CID 71661885) has the molecular formula C22H25N3O4S3 and a molecular weight of 491.66 g/mol. Its IUPAC name is 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide
PubChem CID71661885
Molecular FormulaC22H25N3O4S3
Molecular Weight491.66 g/mol
Exact Mass491.10
IUPAC Name3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide
SMILESO=C(CCC1CCCCC1)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1
InChIInChI=1S/C22H25N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h4,7,10-15,25H,1-3,5-6,8-9H2,(H,23,26)(H,24,27)
InChIKeyWAUBHBSWJBQJEK-UHFFFAOYSA-N
XLogP5.26
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.66
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-{3-(2-Oxo-2,3-Dihydro-1,3-Thiazol-4-Yl)-5-[(Thiophen-2-Ylsulfonyl)amino]phenyl}butanamide
CID 71297183
N-(4-methylphenyl)-1-(thien-2-ylsulfonyl)piperidine-3-carboxamide
CID 3240002
N-(3,4-dimethylphenyl)-4-[(thiophen-2-ylsulfonylamino)methyl]cyclohexane-1-carboxamide
CID 4290749
N-(3-(2-oxo-2,3-dihydrothiazol-4-yl)-5-(thiophene-2-sulfonaMido)phenyl)thiophene-2-carboxaMide
CID 71661712
N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]-3-phenylpropanamide
CID 71661886
N-(3-Ethylphenyl)-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
CID 15987880
N-{3-[(phenylacetyl)amino]phenyl}thiophene-2-carboxamide
CID 1164628
4-[(5-Bromothiophene-2-sulfonamido)methyl]-N-(3-methylphenyl)cyclohexane-1-carboxamide
CID 15989699
N-(3-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 4810884
N-(4-ethylphenyl)-4-{[(2-thienylsulfonyl)amino]methyl}-1-cyclohexanecarboxamide
CID 5322909
N-(3-acetylphenyl)-1-(thiophene-2-sulfonyl)piperidine-4-carboxamide
CID 2329267
N-(4-ethylphenyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 7398859

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide (CID 71661885) is 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1cc(NS(=O)(=O)c2cccs2)cc(-c2csc(=O)[nH]2)c1.
What is the InChIKey of 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
The InChIKey is WAUBHBSWJBQJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S3/c26-20(9-8-15-5-2-1-3-6-15)23-17-11-16(19-14-31-22(27)24-19)12-18(13-17)25-32(28,29)21-7-4-10-30-21/h4,7,10-15,25H,1-3,5-6,8-9H2,(H,23,26)(H,24,27).
What are the key properties of 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide?
3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide has a molecular weight of 491.66 g/mol, XLogP of 5.26, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[3-(2-oxo-3H-1,3-thiazol-4-yl)-5-(thiophen-2-ylsulfonylamino)phenyl]propanamide is sourced from PubChem (CID 71661885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).