N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C28H27N3O4S2 — CID 16831846

IUPACN-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)CC2)cc1
InChIInChI=1S/C28H27N3O4S2/c1-35-23-12-14-24(15-13-23)37(33,34)31-18-16-22(17-19-31)27(32)30-28-29-25(20-8-4-2-5-9-20)26(36-28)21-10-6-3-7-11-21/h2-15,22H,16-19H2,1H3,(H,29,30,32)
InChIKeyKEUZUKXVEITQLT-UHFFFAOYSA-N
MW533.68 g/mol
LogP5.53
Rot. Bonds7

About N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 16831846) has the molecular formula C28H27N3O4S2 and a molecular weight of 533.68 g/mol. Its IUPAC name is N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID16831846
Molecular FormulaC28H27N3O4S2
Molecular Weight533.68 g/mol
Exact Mass533.14
IUPAC NameN-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)CC2)cc1
InChIInChI=1S/C28H27N3O4S2/c1-35-23-12-14-24(15-13-23)37(33,34)31-18-16-22(17-19-31)27(32)30-28-29-25(20-8-4-2-5-9-20)26(36-28)21-10-6-3-7-11-21/h2-15,22H,16-19H2,1H3,(H,29,30,32)
InChIKeyKEUZUKXVEITQLT-UHFFFAOYSA-N
XLogP5.53
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831825
1-(4-methoxyphenyl)sulfonyl-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 16831850
N-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1075573
1-(benzenesulfonyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 6498125
N-(4,5-diphenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 2427902
1-(4-methoxyphenyl)sulfonyl-N-(2-methylsulfonylphenyl)piperidine-4-carboxamide
CID 16831919
methyl 2-[[1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 1075443
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16829217
1-(4-methoxyphenyl)sulfonyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 16831864
N-(2-benzoylphenyl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100657242
1-(4-methoxyphenyl)sulfonyl-N-(6-propan-2-yl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 16831909
1-(4-methoxyphenyl)sulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]piperidine-4-carboxamide
CID 100654835

Frequently Asked Questions

What is the IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 16831846) is N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(-c4ccccc4)c(-c4ccccc4)s3)CC2)cc1.
What is the InChIKey of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is KEUZUKXVEITQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4S2/c1-35-23-12-14-24(15-13-23)37(33,34)31-18-16-22(17-19-31)27(32)30-28-29-25(20-8-4-2-5-9-20)26(36-28)21-10-6-3-7-11-21/h2-15,22H,16-19H2,1H3,(H,29,30,32).
What are the key properties of N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 533.68 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-diphenyl-1,3-thiazol-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 16831846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).