1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide

C17H21NO3S — CID 110776970

IUPAC1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-12-21-17-10-8-16(9-11-17)18-22(19,20)13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3
InChIKeyVVASMUGCYKDGHT-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.73
Rot. Bonds7

About 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide

1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide (PubChem CID 110776970) has the molecular formula C17H21NO3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
PubChem CID110776970
Molecular FormulaC17H21NO3S
Molecular Weight319.43 g/mol
Exact Mass319.12
IUPAC Name1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide
SMILESCCCOc1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1
InChIInChI=1S/C17H21NO3S/c1-3-12-21-17-10-8-16(9-11-17)18-22(19,20)13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3
InChIKeyVVASMUGCYKDGHT-UHFFFAOYSA-N
XLogP3.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylphenyl)-N-(4-propoxyphenyl)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-(4-propoxyphenyl)ethanesulfonamide
CID 50895245
2-hydroxy-N-(4-propoxyphenyl)ethanesulfonamide
CID 79578942
(4-propoxyphenyl)methanesulfonyl chloride
CID 114996230
4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
CID 55060020
4-[(4-methylphenyl)methylsulfonylamino]benzamide
CID 110756530
N-[4-(2-aminoethoxy)phenyl]-1-phenylmethanesulfonamide
CID 43369627
N-[2-(4-methylphenoxy)ethyl]-4-propoxyaniline
CID 54799087
4-methyl-N-[2-(4-propoxyphenoxy)ethyl]aniline
CID 63517332
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
N-[4-[(4-butoxyphenyl)methylsulfanyl]phenyl]-4-methylbenzenesulfonamide
CID 141122630
2-(4-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4943007
N-[2-(4-methylphenoxy)ethyl]ethanesulfonamide
CID 47108527

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide?
The IUPAC name of 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide (CID 110776970) is 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide is CCCOc1ccc(NS(=O)(=O)Cc2ccc(C)cc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide?
The InChIKey is VVASMUGCYKDGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3S/c1-3-12-21-17-10-8-16(9-11-17)18-22(19,20)13-15-6-4-14(2)5-7-15/h4-11,18H,3,12-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide?
1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide has a molecular weight of 319.43 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-(4-propoxyphenyl)methanesulfonamide is sourced from PubChem (CID 110776970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).