4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide

C18H21NO4S — CID 41273873

IUPAC4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-14-5-7-15(8-6-14)19-18(20)4-3-13-24(21,22)17-11-9-16(23-2)10-12-17/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChIKeyIZKPZLVHEWEOFH-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.20
Rot. Bonds7

About 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide

4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide (PubChem CID 41273873) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
PubChem CID41273873
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Name4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
SMILESCOc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4S/c1-14-5-7-15(8-6-14)19-18(20)4-3-13-24(21,22)17-11-9-16(23-2)10-12-17/h5-12H,3-4,13H2,1-2H3,(H,19,20)
InChIKeyIZKPZLVHEWEOFH-UHFFFAOYSA-N
XLogP3.20
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 12559254
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
4-(4-methoxyphenyl)sulfonyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]butanamide
CID 41273714
N-(4-acetylphenyl)-4-(4-methylphenyl)sulfonylbutanamide
CID 41273496
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-(3-methoxyphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 3421684
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N-(1-benzothiophen-5-yl)-4-(4-methylphenyl)sulfonylbutanamide
CID 18585815
methyl 2-[4-(4-methoxyphenyl)sulfonylbutanoylamino]thiophene-3-carboxylate
CID 41273904
N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273846
butyl 4-[3-(4-methylphenyl)sulfonylpropanoylamino]benzoate
CID 2612880
3-(4-methylphenyl)sulfonyl-N-(4-propan-2-ylphenyl)propanamide
CID 8961396

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide (CID 41273873) is 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide is COc1ccc(S(=O)(=O)CCCC(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide?
The InChIKey is IZKPZLVHEWEOFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-14-5-7-15(8-6-14)19-18(20)4-3-13-24(21,22)17-11-9-16(23-2)10-12-17/h5-12H,3-4,13H2,1-2H3,(H,19,20).
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide?
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide has a molecular weight of 347.44 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide is sourced from PubChem (CID 41273873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).