(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

C18H21FN4O4S2 — CID 41129915

IUPAC(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H21FN4O4S2/c1-12-9-21-18(28-12)22-16(24)10-20-17(25)13-3-2-8-23(11-13)29(26,27)15-6-4-14(19)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,20,25)(H,21,22,24)/t13-/m1/s1
InChIKeyVNWISMPTDQBTNX-CYBMUJFWSA-N
MW440.52 g/mol
LogP1.75
Rot. Bonds6

About (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide

(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 41129915) has the molecular formula C18H21FN4O4S2 and a molecular weight of 440.52 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
PubChem CID41129915
Molecular FormulaC18H21FN4O4S2
Molecular Weight440.52 g/mol
Exact Mass440.10
IUPAC Name(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1cnc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1
InChIInChI=1S/C18H21FN4O4S2/c1-12-9-21-18(28-12)22-16(24)10-20-17(25)13-3-2-8-23(11-13)29(26,27)15-6-4-14(19)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,20,25)(H,21,22,24)/t13-/m1/s1
InChIKeyVNWISMPTDQBTNX-CYBMUJFWSA-N
XLogP1.75
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(4-fluorophenyl)sulfonyl-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxamide
CID 40917187
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2983486
(3R)-1-(4-fluorophenyl)sulfonyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]piperidine-3-carboxamide
CID 41026711
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 38529319
(3R)-1-(4-chlorophenyl)sulfonyl-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-3-carboxamide
CID 41063292
N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828886

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide (CID 41129915) is (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is Cc1cnc(NC(=O)CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)s1.
What is the InChIKey of (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is VNWISMPTDQBTNX-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN4O4S2/c1-12-9-21-18(28-12)22-16(24)10-20-17(25)13-3-2-8-23(11-13)29(26,27)15-6-4-14(19)5-7-15/h4-7,9,13H,2-3,8,10-11H2,1H3,(H,20,25)(H,21,22,24)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)sulfonyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 41129915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).