(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C22H25ClN4O3S2 — CID 98681879

IUPAC(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)C2)s1
InChIInChI=1S/C22H25ClN4O3S2/c1-15-5-10-19(31-15)32(29,30)27-12-3-4-17(14-27)22(28)25-20(21-24-11-13-26(21)2)16-6-8-18(23)9-7-16/h5-11,13,17,20H,3-4,12,14H2,1-2H3,(H,25,28)/t17-,20-/m1/s1
InChIKeyPROHZANSAPXHBM-YLJYHZDGSA-N
MW493.05 g/mol
LogP3.75
Rot. Bonds6

About (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 98681879) has the molecular formula C22H25ClN4O3S2 and a molecular weight of 493.05 g/mol. Its IUPAC name is (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID98681879
Molecular FormulaC22H25ClN4O3S2
Molecular Weight493.05 g/mol
Exact Mass492.11
IUPAC Name(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)C2)s1
InChIInChI=1S/C22H25ClN4O3S2/c1-15-5-10-19(31-15)32(29,30)27-12-3-4-17(14-27)22(28)25-20(21-24-11-13-26(21)2)16-6-8-18(23)9-7-16/h5-11,13,17,20H,3-4,12,14H2,1-2H3,(H,25,28)/t17-,20-/m1/s1
InChIKeyPROHZANSAPXHBM-YLJYHZDGSA-N
XLogP3.75
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.05
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]cyclohexanecarboxamide
CID 25406313
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 39724956
N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 42924134
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 25390628
1-(4-chlorophenyl)sulfonyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]piperidine-4-carboxamide
CID 25366246
(3R)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98682472
N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 25350423
N-[1-(3-chlorophenyl)ethyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 42940275
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 30591150
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
9-amino-N-[(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984840
(3R)-N-[(S)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 39490029

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 98681879) is (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)C2)s1.
What is the InChIKey of (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is PROHZANSAPXHBM-YLJYHZDGSA-N. The full InChI is InChI=1S/C22H25ClN4O3S2/c1-15-5-10-19(31-15)32(29,30)27-12-3-4-17(14-27)22(28)25-20(21-24-11-13-26(21)2)16-6-8-18(23)9-7-16/h5-11,13,17,20H,3-4,12,14H2,1-2H3,(H,25,28)/t17-,20-/m1/s1.
What are the key properties of (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 493.05 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 98681879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).