N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H30N2O4S — CID 1075447

IUPACN-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)22-14-12-16(13-15-22)20(23)21-17-6-4-2-3-5-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyDHDQFBUYSMEDFJ-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.93
Rot. Bonds5

About N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 1075447) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID1075447
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)22-14-12-16(13-15-22)20(23)21-17-6-4-2-3-5-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,21,23)
InChIKeyDHDQFBUYSMEDFJ-UHFFFAOYSA-N
XLogP2.93
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 580300
1-[4-(4-Methoxyphenyl)sulfonylpiperazin-1-yl]-3-methylbutan-1-one
CID 717180
N-{[1-(cyclopentylcarbonyl)-3-piperidinyl]methyl}-4-methoxybenzenesulfonamide
CID 16189375
N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]piperidine-4-carboxamide
CID 164626038
Cyclohexyl-[4-(4-methoxy-benzenesulfonyl)-piperazin-1-yl]-methanone
CID 1078633
3-[(4-ethoxyphenyl)sulfonylamino]-N-(4-methylcyclohexyl)propanamide
CID 2539107
2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(3-oxo-1-phenylbutan-2-yl)acetamide
CID 4842947
1-(4-Methoxy-benzenesulfonyl)-piperidine-3-carboxylic acid cyclohexylamide
CID 645701
1-(4-Methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088331
(2R,3R)-2-{[(4-Methoxy-benzenesulfonyl)-methyl-amino]-methyl}-5-methyl-3-(piperidine-1-carbonyl)-hexanoic acid hydroxyamide
CID 9825927
N-hydroxy-1-isopropyl-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide
CID 9885051
4-(cyclohexanecarbonyl)-N-hydroxy-1-(4-methoxyphenylsulfonyl)piperazine-2-carboxamide
CID 10550304

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 1075447) is N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1.
What is the InChIKey of N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is DHDQFBUYSMEDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-26-18-8-10-19(11-9-18)27(24,25)22-14-12-16(13-15-22)20(23)21-17-6-4-2-3-5-7-17/h8-11,16-17H,2-7,12-15H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1075447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).