N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide

C24H30N2O3S — CID 176848547

IUPACN-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
SMILESCC1(c2ccccc2-c2ccccc2)CC1C(=O)N1CCCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C24H30N2O3S/c1-24(21-13-7-6-12-20(21)18-9-4-3-5-10-18)17-22(24)23(27)26-15-8-11-19(14-16-26)25-30(2,28)29/h3-7,9-10,12-13,19,22,25H,8,11,14-17H2,1-2H3
InChIKeyVNLDJCKCFGDZKR-UHFFFAOYSA-N
MW426.58 g/mol
LogP3.56
Rot. Bonds5

About N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide

N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide (PubChem CID 176848547) has the molecular formula C24H30N2O3S and a molecular weight of 426.58 g/mol. Its IUPAC name is N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
PubChem CID176848547
Molecular FormulaC24H30N2O3S
Molecular Weight426.58 g/mol
Exact Mass426.20
IUPAC NameN-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
SMILESCC1(c2ccccc2-c2ccccc2)CC1C(=O)N1CCCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C24H30N2O3S/c1-24(21-13-7-6-12-20(21)18-9-4-3-5-10-18)17-22(24)23(27)26-15-8-11-19(14-16-26)25-30(2,28)29/h3-7,9-10,12-13,19,22,25H,8,11,14-17H2,1-2H3
InChIKeyVNLDJCKCFGDZKR-UHFFFAOYSA-N
XLogP3.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.58
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-[(1S,2S)-2-fluoro-2-(2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176848858
N-[1-[2-(4-methoxy-2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176849181
N-[(3S)-1-[(1S,2S)-2-(2-phenylphenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 176849179
N-[1-[4-(2-hydroxyphenyl)benzoyl]piperidin-4-yl]methanesulfonamide
CID 118767374
N-[1-[2-[2-(3-chlorophenyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848672
N-[(4S)-1-[(1R,2R)-2-(2-phenylthiophen-3-yl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848284
N-[(4S)-1-[(1R,2R)-2-[2-(3-methoxyphenyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848850
N-[(4R)-1-[(1R,2R)-2-(4-fluoro-3-methyl-2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848898
N-[1-(3-phenylfuran-2-carbonyl)piperidin-3-yl]methanesulfonamide
CID 51079183
N-[1-[2-(2-methyl-6-phenylphenyl)cyclopropanecarbonyl]pyrrolidin-3-yl]methanesulfonamide
CID 176848561
N-[1-[2-[2-(2,6-difluorophenyl)-6-fluorophenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848260
N-[(4R)-1-[(1R,2R)-2-[2-(2,4-difluorophenyl)phenyl]cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide
CID 176848445

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide (CID 176848547) is N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide is CC1(c2ccccc2-c2ccccc2)CC1C(=O)N1CCCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide?
The InChIKey is VNLDJCKCFGDZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3S/c1-24(21-13-7-6-12-20(21)18-9-4-3-5-10-18)17-22(24)23(27)26-15-8-11-19(14-16-26)25-30(2,28)29/h3-7,9-10,12-13,19,22,25H,8,11,14-17H2,1-2H3.
What are the key properties of N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide?
N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide has a molecular weight of 426.58 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-2-(2-phenylphenyl)cyclopropanecarbonyl]azepan-4-yl]methanesulfonamide is sourced from PubChem (CID 176848547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).