3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

C23H32N4O4S2 — CID 35843294

IUPAC3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C23H32N4O4S2/c1-16-6-5-11-27(13-16)14-19-15-32-23(24-19)25-22(28)17-9-10-20(31-2)21(12-17)33(29,30)26-18-7-3-4-8-18/h9-10,12,15-16,18,26H,3-8,11,13-14H2,1-2H3,(H,24,25,28)/t16-/m0/s1
InChIKeyGRDVRFWWQQYIJK-INIZCTEOSA-N
MW492.67 g/mol
LogP3.86
Rot. Bonds8

About 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 35843294) has the molecular formula C23H32N4O4S2 and a molecular weight of 492.67 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID35843294
Molecular FormulaC23H32N4O4S2
Molecular Weight492.67 g/mol
Exact Mass492.19
IUPAC Name3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1S(=O)(=O)NC1CCCC1
InChIInChI=1S/C23H32N4O4S2/c1-16-6-5-11-27(13-16)14-19-15-32-23(24-19)25-22(28)17-9-10-20(31-2)21(12-17)33(29,30)26-18-7-3-4-8-18/h9-10,12,15-16,18,26H,3-8,11,13-14H2,1-2H3,(H,24,25,28)/t16-/m0/s1
InChIKeyGRDVRFWWQQYIJK-INIZCTEOSA-N
XLogP3.86
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.67
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
4-methyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 46680057
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
3-fluoro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680184
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-3H-benzimidazole-5-carboxamide
CID 25345513
2-chloro-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]quinoline-6-carboxamide
CID 55823340
3-bromo-N-[4-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190739
3-bromo-N-[4-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 30190736
3-(azepan-1-ylsulfonyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 46680019
4-[(carbamoylamino)methyl]-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 24586641
4-(1,3-dithian-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]benzamide
CID 42929667
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 24586670

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide (CID 35843294) is 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)cc1S(=O)(=O)NC1CCCC1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is GRDVRFWWQQYIJK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H32N4O4S2/c1-16-6-5-11-27(13-16)14-19-15-32-23(24-19)25-22(28)17-9-10-20(31-2)21(12-17)33(29,30)26-18-7-3-4-8-18/h9-10,12,15-16,18,26H,3-8,11,13-14H2,1-2H3,(H,24,25,28)/t16-/m0/s1.
What are the key properties of 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide?
3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 492.67 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-methoxy-N-[4-[[(3S)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 35843294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).