N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide

C18H23NO3S — CID 110779830

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCCc2ccccc2)cc1C
InChIInChI=1S/C18H23NO3S/c1-15-13-17(10-11-18(15)22-2)14-19-23(20,21)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3
InChIKeyAUZKNVMTUMIYMH-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.06
Rot. Bonds8

About N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide

N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110779830) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110779830
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
SMILESCOc1ccc(CNS(=O)(=O)CCCc2ccccc2)cc1C
InChIInChI=1S/C18H23NO3S/c1-15-13-17(10-11-18(15)22-2)14-19-23(20,21)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3
InChIKeyAUZKNVMTUMIYMH-UHFFFAOYSA-N
XLogP3.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide 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-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
N-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylethanesulfonamide
CID 110780051
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110666154
N-[(4-ethoxy-3-methylphenyl)methyl]butane-1-sulfonamide
CID 110781946
N-(2-methoxyphenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112998607
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenyl)ethanesulfonamide
CID 110412902
N-[(3,4-dimethoxyphenyl)methyl]-2-methoxyethanesulfonamide
CID 110300105
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide (CID 110779830) is N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide is COc1ccc(CNS(=O)(=O)CCCc2ccccc2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is AUZKNVMTUMIYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-15-13-17(10-11-18(15)22-2)14-19-23(20,21)12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,6,9,12,14H2,1-2H3.
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide?
N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110779830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).