N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide

C22H28N2O3S — CID 17201100

IUPACN-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CN(c1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O3S/c1-18-9-5-6-10-20(18)17-24(28(2,26)27)21-13-11-19(12-14-21)22(25)23-15-7-3-4-8-16-23/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3
InChIKeyALSONGZXTLCAEA-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.98
Rot. Bonds5

About N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide

N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide (PubChem CID 17201100) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
PubChem CID17201100
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide
SMILESCc1ccccc1CN(c1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O
InChIInChI=1S/C22H28N2O3S/c1-18-9-5-6-10-20(18)17-24(28(2,26)27)21-13-11-19(12-14-21)22(25)23-15-7-3-4-8-16-23/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3
InChIKeyALSONGZXTLCAEA-UHFFFAOYSA-N
XLogP3.98
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]methanesulfonamide
CID 23770767
N-(cyclododecylideneamino)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119637
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-[(1-methylpiperidin-4-ylidene)amino]benzamide
CID 126134361
N,N-dibenzyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126119642
N-cyclopropyl-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 989117
N-benzyl-N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 21372396
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]-N-[(2-chlorophenyl)methyl]methanesulfonamide
CID 126032860
N-(2,5-dimethylphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126117559
N-(4-methoxyphenyl)-4-[(2-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1315945
N-methyl-1-(4-methylbenzoyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 55623634
4-[(2-methylphenyl)methyl-methylsulfonylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 1210836

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
The IUPAC name of N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide (CID 17201100) is N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide is Cc1ccccc1CN(c1ccc(C(=O)N2CCCCCC2)cc1)S(C)(=O)=O.
What is the InChIKey of N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
The InChIKey is ALSONGZXTLCAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-18-9-5-6-10-20(18)17-24(28(2,26)27)21-13-11-19(12-14-21)22(25)23-15-7-3-4-8-16-23/h5-6,9-14H,3-4,7-8,15-17H2,1-2H3.
What are the key properties of N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide?
N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide has a molecular weight of 400.54 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepane-1-carbonyl)phenyl]-N-[(2-methylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 17201100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).