N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

C15H16N2O4S2 — CID 30806579

IUPACN-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O4S2/c1-23(20,21)17-12-5-2-4-11(10-12)16-15(19)8-7-13(18)14-6-3-9-22-14/h2-6,9-10,17H,7-8H2,1H3,(H,16,19)
InChIKeyRCYSFNSABBWCMW-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.72
Rot. Bonds7

About N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 30806579) has the molecular formula C15H16N2O4S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID30806579
Molecular FormulaC15H16N2O4S2
Molecular Weight352.44 g/mol
Exact Mass352.06
IUPAC NameN-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCS(=O)(=O)Nc1cccc(NC(=O)CCC(=O)c2cccs2)c1
InChIInChI=1S/C15H16N2O4S2/c1-23(20,21)17-12-5-2-4-11(10-12)16-15(19)8-7-13(18)14-6-3-9-22-14/h2-6,9-10,17H,7-8H2,1H3,(H,16,19)
InChIKeyRCYSFNSABBWCMW-UHFFFAOYSA-N
XLogP2.72
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
CID 17470169
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
5-[3-(methanesulfonamido)anilino]-5-oxopentanoic acid
CID 60940402
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
N-[4-(2-methylpropylsulfamoyl)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108807727
3-(tert-butylamino)-N-[3-(methanesulfonamido)phenyl]propanamide
CID 61276046
4-amino-N-[3-(methanesulfonamido)phenyl]pentanamide;hydrochloride
CID 120559877
N-[4-(2-methylpropanoylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 26679935
2-hydroxy-4-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzoic acid
CID 108807708
N-[3-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]phenyl]thiophene-2-carboxamide
CID 31515825

Frequently Asked Questions

What is the IUPAC name of N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 30806579) is N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is CS(=O)(=O)Nc1cccc(NC(=O)CCC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is RCYSFNSABBWCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4S2/c1-23(20,21)17-12-5-2-4-11(10-12)16-15(19)8-7-13(18)14-6-3-9-22-14/h2-6,9-10,17H,7-8H2,1H3,(H,16,19).
What are the key properties of N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 352.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 30806579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).