N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

C23H29N3O3S2 — CID 55336646

IUPACN-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3sc(C)c(C)c3C#N)CC2)c1C
InChIInChI=1S/C23H29N3O3S2/c1-13-11-14(2)16(4)21(15(13)3)31(28,29)26-9-7-19(8-10-26)22(27)25-23-20(12-24)17(5)18(6)30-23/h11,19H,7-10H2,1-6H3,(H,25,27)
InChIKeyHORIBQZYFOVCRB-UHFFFAOYSA-N
MW459.64 g/mol
LogP4.51
Rot. Bonds4

About N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide

N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 55336646) has the molecular formula C23H29N3O3S2 and a molecular weight of 459.64 g/mol. Its IUPAC name is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID55336646
Molecular FormulaC23H29N3O3S2
Molecular Weight459.64 g/mol
Exact Mass459.17
IUPAC NameN-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3sc(C)c(C)c3C#N)CC2)c1C
InChIInChI=1S/C23H29N3O3S2/c1-13-11-14(2)16(4)21(15(13)3)31(28,29)26-9-7-19(8-10-26)22(27)25-23-20(12-24)17(5)18(6)30-23/h11,19H,7-10H2,1-6H3,(H,25,27)
InChIKeyHORIBQZYFOVCRB-UHFFFAOYSA-N
XLogP4.51
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.64
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide with MolForge

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Related Compounds

1-(4-chlorophenyl)sulfonyl-N-(3-cyano-4,5-dimethylthiophen-2-yl)piperidine-4-carboxamide
CID 18589778
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 16831911
methyl 4-cyano-3-methyl-5-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-2-carboxylate
CID 44918934
N-(1-cyclopropylpiperidin-4-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26131040
1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 6462654
N-(2-methyl-4-pyridinyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 112803594
N-(3-aminopropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 119405340
N-(3-ethoxypropyl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 27680479
N-[3-(methylamino)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119430053
N-[2-(ethylamino)ethyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide;hydrochloride
CID 119505200
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 6473263
N-[(3,5-dimethoxyphenyl)methyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 46590373

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide (CID 55336646) is N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)Nc3sc(C)c(C)c3C#N)CC2)c1C.
What is the InChIKey of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is HORIBQZYFOVCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S2/c1-13-11-14(2)16(4)21(15(13)3)31(28,29)26-9-7-19(8-10-26)22(27)25-23-20(12-24)17(5)18(6)30-23/h11,19H,7-10H2,1-6H3,(H,25,27).
What are the key properties of N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide?
N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 459.64 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4,5-dimethylthiophen-2-yl)-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 55336646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).