4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide

C37H45NO2S — CID 101247148

IUPAC4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide
SMILESC=C(CN(CC(=C)C1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C37H45NO2S/c1-28-14-24-37(25-15-28)41(39,40)38(26-29(2)31-16-20-35(21-17-31)33-10-6-4-7-11-33)27-30(3)32-18-22-36(23-19-32)34-12-8-5-9-13-34/h4-15,24-25,31-32,35-36H,2-3,16-23,26-27H2,1H3
InChIKeyGYVLIVUCCOPPQC-UHFFFAOYSA-N
MW567.84 g/mol
LogP9.05
Rot. Bonds10

About 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide

4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide (PubChem CID 101247148) has the molecular formula C37H45NO2S and a molecular weight of 567.84 g/mol. Its IUPAC name is 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide
PubChem CID101247148
Molecular FormulaC37H45NO2S
Molecular Weight567.84 g/mol
Exact Mass567.32
IUPAC Name4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide
SMILESC=C(CN(CC(=C)C1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C37H45NO2S/c1-28-14-24-37(25-15-28)41(39,40)38(26-29(2)31-16-20-35(21-17-31)33-10-6-4-7-11-33)27-30(3)32-18-22-36(23-19-32)34-12-8-5-9-13-34/h4-15,24-25,31-32,35-36H,2-3,16-23,26-27H2,1H3
InChIKeyGYVLIVUCCOPPQC-UHFFFAOYSA-N
XLogP9.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.84
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
N-[2-(benzenesulfonyl)buta-2,3-dienyl]-4-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 102175793
N-(2-bromoprop-2-enyl)-4-methyl-N-phenylbenzenesulfonamide
CID 102104553
N-(2-benzylprop-2-enyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 154709075
4-methyl-N-[(4-phenylcyclohexylidene)amino]benzenesulfonamide
CID 3540750
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
N,N-bis[2-[benzyl-(4-methylphenyl)sulfonylamino]ethyl]-4-methylbenzenesulfonamide
CID 10700219
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
N-[2-(benzenesulfonyl)buta-2,3-dienyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11003970
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
N-(2-hydroxyethyl)-N-(2-methylidenebutyl)benzenesulfonamide
CID 142404844
4-methyl-N-[[(1R,4R)-4-methyl-5-phenylcyclohex-2-en-1-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 102083215

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide (CID 101247148) is 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide is C=C(CN(CC(=C)C1CCC(c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide?
The InChIKey is GYVLIVUCCOPPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45NO2S/c1-28-14-24-37(25-15-28)41(39,40)38(26-29(2)31-16-20-35(21-17-31)33-10-6-4-7-11-33)27-30(3)32-18-22-36(23-19-32)34-12-8-5-9-13-34/h4-15,24-25,31-32,35-36H,2-3,16-23,26-27H2,1H3.
What are the key properties of 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide?
4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide has a molecular weight of 567.84 g/mol, XLogP of 9.05, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N,N-bis[2-(4-phenylcyclohexyl)prop-2-enyl]benzenesulfonamide is sourced from PubChem (CID 101247148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).