1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide

C20H26N4O4S3 — CID 71710468

IUPAC1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide
SMILESCSCCC(NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1nccs1
InChIInChI=1S/C20H26N4O4S3/c1-29-12-9-17(19(26)23-20-21-10-13-30-20)22-18(25)15-6-5-11-24(14-15)31(27,28)16-7-3-2-4-8-16/h2-4,7-8,10,13,15,17H,5-6,9,11-12,14H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyNVJFOZBSABNUMK-UHFFFAOYSA-N
MW482.65 g/mol
LogP2.42
Rot. Bonds9

About 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide

1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide (PubChem CID 71710468) has the molecular formula C20H26N4O4S3 and a molecular weight of 482.65 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide
PubChem CID71710468
Molecular FormulaC20H26N4O4S3
Molecular Weight482.65 g/mol
Exact Mass482.11
IUPAC Name1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide
SMILESCSCCC(NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1nccs1
InChIInChI=1S/C20H26N4O4S3/c1-29-12-9-17(19(26)23-20-21-10-13-30-20)22-18(25)15-6-5-11-24(14-15)31(27,28)16-7-3-2-4-8-16/h2-4,7-8,10,13,15,17H,5-6,9,11-12,14H2,1H3,(H,22,25)(H,21,23,26)
InChIKeyNVJFOZBSABNUMK-UHFFFAOYSA-N
XLogP2.42
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-[(2S)-4-methylsulfanyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]piperidine-3-carboxamide
CID 41009446
1-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 16828987
(2S)-2-[[(3R)-1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methylsulfanylbutanoate
CID 8022622
(3S)-1-(benzenesulfonyl)-N-[(2R)-4-methylsulfanyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]piperidine-3-carboxamide
CID 97263015
1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]piperidine-3-carboxamide
CID 71710463
1-(4-methoxyphenyl)sulfonyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 71710462
(3R)-1-(4-chlorophenyl)sulfonyl-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 41118580
1-(benzenesulfonyl)-N-[1-oxo-3-phenyl-1-(pyridin-2-ylamino)propan-2-yl]piperidine-3-carboxamide
CID 73259521
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
N-(1,3-thiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 16826163
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide (CID 71710468) is 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide is CSCCC(NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1)C(=O)Nc1nccs1.
What is the InChIKey of 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide?
The InChIKey is NVJFOZBSABNUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S3/c1-29-12-9-17(19(26)23-20-21-10-13-30-20)22-18(25)15-6-5-11-24(14-15)31(27,28)16-7-3-2-4-8-16/h2-4,7-8,10,13,15,17H,5-6,9,11-12,14H2,1H3,(H,22,25)(H,21,23,26).
What are the key properties of 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide?
1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide has a molecular weight of 482.65 g/mol, XLogP of 2.42, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[4-methylsulfanyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71710468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).