1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide

C23H29ClN2O3S2 — CID 4963605

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C23H29ClN2O3S2/c24-20-12-13-21(30-20)31(28,29)26-16-14-23(15-17-26,18-8-4-3-5-9-18)22(27)25-19-10-6-1-2-7-11-19/h3-5,8-9,12-13,19H,1-2,6-7,10-11,14-17H2,(H,25,27)
InChIKeyOFKIHZGHDVRQSX-UHFFFAOYSA-N
MW481.08 g/mol
LogP4.96
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide

1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide (PubChem CID 4963605) has the molecular formula C23H29ClN2O3S2 and a molecular weight of 481.08 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide
PubChem CID4963605
Molecular FormulaC23H29ClN2O3S2
Molecular Weight481.08 g/mol
Exact Mass480.13
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
InChIInChI=1S/C23H29ClN2O3S2/c24-20-12-13-21(30-20)31(28,29)26-16-14-23(15-17-26,18-8-4-3-5-9-18)22(27)25-19-10-6-1-2-7-11-19/h3-5,8-9,12-13,19H,1-2,6-7,10-11,14-17H2,(H,25,27)
InChIKeyOFKIHZGHDVRQSX-UHFFFAOYSA-N
XLogP4.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.08
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)sulfonyl-4-phenyl-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 41070987
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
N-cycloheptyl-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-phenylpiperidine-4-carboxamide
CID 30837376
(2R)-2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
CID 95088901
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-N-cyclohexylpropanamide
CID 53119077
1-(5-chlorothiophen-2-yl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 63123700
1-(5-chlorothiophen-2-yl)sulfonylazepane
CID 775842
1-ethylsulfonyl-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 119390296
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-1-phenylcyclobutane-1-carboxamide
CID 24668842
1-(5-chlorothiophen-2-yl)sulfonyl-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 24668788
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-cyclopentylethanone
CID 7972513
1-phenyl-N-(1-propylsulfonylpiperidin-4-yl)cyclopropane-1-carboxamide
CID 55962295

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide (CID 4963605) is 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide is O=C(NC1CCCCCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide?
The InChIKey is OFKIHZGHDVRQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O3S2/c24-20-12-13-21(30-20)31(28,29)26-16-14-23(15-17-26,18-8-4-3-5-9-18)22(27)25-19-10-6-1-2-7-11-19/h3-5,8-9,12-13,19H,1-2,6-7,10-11,14-17H2,(H,25,27).
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide?
1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide has a molecular weight of 481.08 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-N-cycloheptyl-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 4963605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).