4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide

C16H19NO3S2 — CID 11221413

IUPAC4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H19NO3S2/c1-12-3-5-16(6-4-12)22(19,20)17-13(2)9-15(18)10-14-7-8-21-11-14/h3-8,11,13,17H,9-10H2,1-2H3
InChIKeyZOUADMVSOKNZJG-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.93
Rot. Bonds7

About 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide

4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide (PubChem CID 11221413) has the molecular formula C16H19NO3S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
PubChem CID11221413
Molecular FormulaC16H19NO3S2
Molecular Weight337.47 g/mol
Exact Mass337.08
IUPAC Name4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)CC(=O)Cc2ccsc2)cc1
InChIInChI=1S/C16H19NO3S2/c1-12-3-5-16(6-4-12)22(19,20)17-13(2)9-15(18)10-14-7-8-21-11-14/h3-8,11,13,17H,9-10H2,1-2H3
InChIKeyZOUADMVSOKNZJG-UHFFFAOYSA-N
XLogP2.93
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(4-oxo-5-phenylpentan-2-yl)benzenesulfonamide
CID 11301998
N-(4-methylphenyl)sulfonyl-2-thiophen-3-ylacetamide
CID 101377782
butan-2-yl 3-[(4-methylphenyl)sulfonylamino]butanoate
CID 70166955
4-(bromomethyl)-N-(1-thiophen-3-ylpropan-2-yl)benzenesulfonamide
CID 65479835
4-methyl-N-[(2R,4R)-4-[(4-methylphenyl)sulfonylamino]pentan-2-yl]benzenesulfonamide
CID 73054079
4-amino-5-methyl-1-thiophen-3-ylhexan-2-one
CID 116606372
4-methyl-N-(1-sulfanylpropan-2-yl)benzenesulfonamide
CID 22711650
2-[(4-methylphenyl)sulfonylamino]butanoate
CID 4987554
3-[(4-methylphenyl)sulfonylamino]butylcarbamic acid
CID 139490787
(2S)-2-[(4-methylphenyl)sulfonylamino]-N-propan-2-ylbutanamide
CID 7730689
2-[(4-methylphenyl)sulfonylamino]-4-(2-methylpropylamino)-4-oxobutanoic acid
CID 175151237
(2R)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 6933874

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide (CID 11221413) is 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)CC(=O)Cc2ccsc2)cc1.
What is the InChIKey of 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide?
The InChIKey is ZOUADMVSOKNZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S2/c1-12-3-5-16(6-4-12)22(19,20)17-13(2)9-15(18)10-14-7-8-21-11-14/h3-8,11,13,17H,9-10H2,1-2H3.
What are the key properties of 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide?
4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide has a molecular weight of 337.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-5-thiophen-3-ylpentan-2-yl)benzenesulfonamide is sourced from PubChem (CID 11221413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).