N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide

C17H19NO4S — CID 3421684

IUPACN-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO4S/c1-13-6-8-16(9-7-13)23(20,21)11-10-17(19)18-14-4-3-5-15(12-14)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyMATDZWYUXZZQGE-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.81
Rot. Bonds6

About N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide

N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 3421684) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID3421684
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCOc1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C17H19NO4S/c1-13-6-8-16(9-7-13)23(20,21)11-10-17(19)18-14-4-3-5-15(12-14)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,19)
InChIKeyMATDZWYUXZZQGE-UHFFFAOYSA-N
XLogP2.81
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-[3-(4-methylphenyl)sulfonylpropanoylamino]thiourea
CID 9158195
methyl 3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 110294957
N-(3-acetylphenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 4112435
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonyl-N-(3-methoxyphenyl)propanamide
CID 46377654
3-(4-methoxyphenyl)sulfonyl-N-(3-nitrophenyl)propanamide
CID 4307145
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118
N-(3-methoxyphenyl)-3-(4-methylanilino)propanamide
CID 109034467
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116
2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 112998688
3-chloro-N-(3-methoxyphenyl)propanamide
CID 2785756
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide (CID 3421684) is N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide is COc1cccc(NC(=O)CCS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is MATDZWYUXZZQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-13-6-8-16(9-7-13)23(20,21)11-10-17(19)18-14-4-3-5-15(12-14)22-2/h3-9,12H,10-11H2,1-2H3,(H,18,19).
What are the key properties of N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 333.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 3421684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).