1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

C24H24N4O3S2 — CID 26177013

IUPAC1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H24N4O3S2/c1-16-22(19-9-5-6-10-20(19)25-16)21-15-32-24(26-21)27-23(29)17-11-13-28(14-12-17)33(30,31)18-7-3-2-4-8-18/h2-10,15,17,25H,11-14H2,1H3,(H,26,27,29)
InChIKeyVGBRJMGUSCZZOT-UHFFFAOYSA-N
MW480.62 g/mol
LogP4.64
Rot. Bonds5

About 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 26177013) has the molecular formula C24H24N4O3S2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID26177013
Molecular FormulaC24H24N4O3S2
Molecular Weight480.62 g/mol
Exact Mass480.13
IUPAC Name1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCc1[nH]c2ccccc2c1-c1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H24N4O3S2/c1-16-22(19-9-5-6-10-20(19)25-16)21-15-32-24(26-21)27-23(29)17-11-13-28(14-12-17)33(30,31)18-7-3-2-4-8-18/h2-10,15,17,25H,11-14H2,1H3,(H,26,27,29)
InChIKeyVGBRJMGUSCZZOT-UHFFFAOYSA-N
XLogP4.64
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(benzenesulfonyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 26203036
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-(3-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828561
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
N-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(4-methylsulfonylphenyl)sulfonylpiperidine-4-carboxamide
CID 16828540
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831714
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
1-(benzenesulfonyl)-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46680321
1-(benzenesulfonyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
CID 23826158
ethane;molecular hydrogen;N-[4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 144915932
3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylacetamide;hydrochloride
CID 146052089

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 26177013) is 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is Cc1[nH]c2ccccc2c1-c1csc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is VGBRJMGUSCZZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S2/c1-16-22(19-9-5-6-10-20(19)25-16)21-15-32-24(26-21)27-23(29)17-11-13-28(14-12-17)33(30,31)18-7-3-2-4-8-18/h2-10,15,17,25H,11-14H2,1H3,(H,26,27,29).
What are the key properties of 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 26177013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).