1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide

C20H26ClNO3S — CID 133186551

IUPAC1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C(C)C
InChIInChI=1S/C20H26ClNO3S/c1-13(2)18-11-19(14(3)10-20(18)25-5)15(4)22-26(23,24)12-16-6-8-17(21)9-7-16/h6-11,13,15,22H,12H2,1-5H3
InChIKeyRFWHYAQOXXLKRQ-UHFFFAOYSA-N
MW395.95 g/mol
LogP4.96
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide

1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide (PubChem CID 133186551) has the molecular formula C20H26ClNO3S and a molecular weight of 395.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide
PubChem CID133186551
Molecular FormulaC20H26ClNO3S
Molecular Weight395.95 g/mol
Exact Mass395.13
IUPAC Name1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide
SMILESCOc1cc(C)c(C(C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C(C)C
InChIInChI=1S/C20H26ClNO3S/c1-13(2)18-11-19(14(3)10-20(18)25-5)15(4)22-26(23,24)12-16-6-8-17(21)9-7-16/h6-11,13,15,22H,12H2,1-5H3
InChIKeyRFWHYAQOXXLKRQ-UHFFFAOYSA-N
XLogP4.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.95
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]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-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 133186546
1-(4-chlorophenyl)-N-[1-(4-methoxy-3-methylphenyl)propyl]methanesulfonamide
CID 133210545
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133217368
1-(4-chlorophenyl)-N-[3-(2,4-dimethoxy-5-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 71012362
3-iodo-4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 133186440
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(1R)-1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 125084351
4-[(3,5-dichloro-N-methylsulfonylanilino)methyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133217462
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzamide
CID 133186397
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]acetamide
CID 133186227

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide (CID 133186551) is 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide is COc1cc(C)c(C(C)NS(=O)(=O)Cc2ccc(Cl)cc2)cc1C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide?
The InChIKey is RFWHYAQOXXLKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClNO3S/c1-13(2)18-11-19(14(3)10-20(18)25-5)15(4)22-26(23,24)12-16-6-8-17(21)9-7-16/h6-11,13,15,22H,12H2,1-5H3.
What are the key properties of 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide has a molecular weight of 395.95 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]methanesulfonamide is sourced from PubChem (CID 133186551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).