N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

C23H30N2O5S2 — CID 46424838

IUPACN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H30N2O5S2/c1-16-9-12-22(31-16)32(27,28)25-13-5-6-17(15-25)23(26)24-18-10-11-20(29-2)21(14-18)30-19-7-3-4-8-19/h9-12,14,17,19H,3-8,13,15H2,1-2H3,(H,24,26)
InChIKeyYTALWHHJHILASM-UHFFFAOYSA-N
MW478.64 g/mol
LogP4.43
Rot. Bonds7

About N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 46424838) has the molecular formula C23H30N2O5S2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
PubChem CID46424838
Molecular FormulaC23H30N2O5S2
Molecular Weight478.64 g/mol
Exact Mass478.16
IUPAC NameN-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H30N2O5S2/c1-16-9-12-22(31-16)32(27,28)25-13-5-6-17(15-25)23(26)24-18-10-11-20(29-2)21(14-18)30-19-7-3-4-8-19/h9-12,14,17,19H,3-8,13,15H2,1-2H3,(H,24,26)
InChIKeyYTALWHHJHILASM-UHFFFAOYSA-N
XLogP4.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(2-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 30534952
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 55526925
N-(5-acetamido-2-methylphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46463653
(3S)-N-(3,4-dimethoxyphenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447145
(3R)-N-(3,4-dimethoxyphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 126398481
N-(4-methyl-3-nitrophenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24641393
1-benzoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 86901250
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 24641470
1-butanoyl-N-(3-cyclopentyloxy-4-methoxyphenyl)piperidine-3-carboxamide
CID 55913400
(3R)-N-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 26690986
1-(4-bromophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 4045668
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 24643649

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide (CID 46424838) is N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)s3)C2)cc1OC1CCCC1.
What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is YTALWHHJHILASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5S2/c1-16-9-12-22(31-16)32(27,28)25-13-5-6-17(15-25)23(26)24-18-10-11-20(29-2)21(14-18)30-19-7-3-4-8-19/h9-12,14,17,19H,3-8,13,15H2,1-2H3,(H,24,26).
What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide?
N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 478.64 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 46424838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).