(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide

C21H27FN4O4S2 — CID 51523407

IUPAC(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide
SMILESCc1csc(NC(=O)[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(C)C)n1
InChIInChI=1S/C21H27FN4O4S2/c1-13(2)18(20(28)25-21-23-14(3)12-31-21)24-19(27)15-5-4-10-26(11-15)32(29,30)17-8-6-16(22)7-9-17/h6-9,12-13,15,18H,4-5,10-11H2,1-3H3,(H,24,27)(H,23,25,28)/t15-,18+/m0/s1
InChIKeyADUVTIDDNAKFRH-MAUKXSAKSA-N
MW482.60 g/mol
LogP2.77
Rot. Bonds7

About (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide

(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide (PubChem CID 51523407) has the molecular formula C21H27FN4O4S2 and a molecular weight of 482.60 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide
PubChem CID51523407
Molecular FormulaC21H27FN4O4S2
Molecular Weight482.60 g/mol
Exact Mass482.15
IUPAC Name(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide
SMILESCc1csc(NC(=O)[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(C)C)n1
InChIInChI=1S/C21H27FN4O4S2/c1-13(2)18(20(28)25-21-23-14(3)12-31-21)24-19(27)15-5-4-10-26(11-15)32(29,30)17-8-6-16(22)7-9-17/h6-9,12-13,15,18H,4-5,10-11H2,1-3H3,(H,24,27)(H,23,25,28)/t15-,18+/m0/s1
InChIKeyADUVTIDDNAKFRH-MAUKXSAKSA-N
XLogP2.77
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-(4-methoxyanilino)-3-methyl-1-oxobutan-2-yl]piperidine-3-carboxamide
CID 40947216
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]piperidine-3-carboxamide
CID 40921449
1-(4-fluorophenyl)sulfonyl-N-[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]piperidine-3-carboxamide
CID 73401850
(2R)-3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]butanoic acid
CID 119369114
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
(3S)-N-[(2R)-butan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40554296
(3R)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 40961581
N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 92509088
(3S)-N-[(2S,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 41025315
1-(4-fluorophenyl)sulfonyl-N-[4-(2-methylpropanoylamino)phenyl]piperidine-3-carboxamide
CID 55406646
methyl 3-methyl-2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]butanoate
CID 3752598
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide (CID 51523407) is (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide is Cc1csc(NC(=O)[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(C)C)n1.
What is the InChIKey of (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide?
The InChIKey is ADUVTIDDNAKFRH-MAUKXSAKSA-N. The full InChI is InChI=1S/C21H27FN4O4S2/c1-13(2)18(20(28)25-21-23-14(3)12-31-21)24-19(27)15-5-4-10-26(11-15)32(29,30)17-8-6-16(22)7-9-17/h6-9,12-13,15,18H,4-5,10-11H2,1-3H3,(H,24,27)(H,23,25,28)/t15-,18+/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide has a molecular weight of 482.60 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)sulfonyl-N-[(2R)-3-methyl-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxobutan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 51523407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).