4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide

C31H38N2O4S — CID 90851608

IUPAC4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C31H38N2O4S/c1-36-27-15-17-29(18-16-27)38(34,35)33(26-11-8-12-28(23-26)37-2)25-19-21-32(22-20-25)31-14-7-6-13-30(31)24-9-4-3-5-10-24/h3-5,8-12,15-18,23,25,30-31H,6-7,13-14,19-22H2,1-2H3/t30-,31-/m1/s1
InChIKeyJZBLSFWSKHMISV-FIRIVFDPSA-N
MW534.72 g/mol
LogP6.09
Rot. Bonds8

About 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide

4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 90851608) has the molecular formula C31H38N2O4S and a molecular weight of 534.72 g/mol. Its IUPAC name is 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
PubChem CID90851608
Molecular FormulaC31H38N2O4S
Molecular Weight534.72 g/mol
Exact Mass534.26
IUPAC Name4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)cc1
InChIInChI=1S/C31H38N2O4S/c1-36-27-15-17-29(18-16-27)38(34,35)33(26-11-8-12-28(23-26)37-2)25-19-21-32(22-20-25)31-14-7-6-13-30(31)24-9-4-3-5-10-24/h3-5,8-12,15-18,23,25,30-31H,6-7,13-14,19-22H2,1-2H3/t30-,31-/m1/s1
InChIKeyJZBLSFWSKHMISV-FIRIVFDPSA-N
XLogP6.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.72
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91207633
3,4-dichloro-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 90709522
4-chloro-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91541603
N-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91489416
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
4-chloro-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 90957662
3-methoxy-N-(3-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91125540
3-methoxy-N-(4-methoxyphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzamide
CID 91137183
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 10278440
N-(3-methoxyphenyl)-2-phenyl-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]acetamide
CID 91306761
N-(2-methylphenyl)-N-[1-(2-phenylcyclohexyl)piperidin-4-yl]benzenesulfonamide
CID 91422522
N-[1-[(1R,2S)-2-hydroxy-2-pyridin-4-ylcyclohexyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 91270421

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide (CID 90851608) is 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN([C@@H]3CCCC[C@@H]3c3ccccc3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is JZBLSFWSKHMISV-FIRIVFDPSA-N. The full InChI is InChI=1S/C31H38N2O4S/c1-36-27-15-17-29(18-16-27)38(34,35)33(26-11-8-12-28(23-26)37-2)25-19-21-32(22-20-25)31-14-7-6-13-30(31)24-9-4-3-5-10-24/h3-5,8-12,15-18,23,25,30-31H,6-7,13-14,19-22H2,1-2H3/t30-,31-/m1/s1.
What are the key properties of 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide?
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 534.72 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 90851608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).