N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide

C16H20N2O3S2 — CID 55934358

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
SMILESCC(NC(=O)CCc1ccsc1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H20N2O3S2/c1-12(17-16(19)8-7-13-9-10-22-11-13)14-5-3-4-6-15(14)18-23(2,20)21/h3-6,9-12,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyBXSOANOEVBMHPW-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.93
Rot. Bonds7

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide (PubChem CID 55934358) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
PubChem CID55934358
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide
SMILESCC(NC(=O)CCc1ccsc1)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C16H20N2O3S2/c1-12(17-16(19)8-7-13-9-10-22-11-13)14-5-3-4-6-15(14)18-23(2,20)21/h3-6,9-12,18H,7-8H2,1-2H3,(H,17,19)
InChIKeyBXSOANOEVBMHPW-UHFFFAOYSA-N
XLogP2.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 60544467
(2R)-N-[(1R)-1-[2-(methanesulfonamido)phenyl]ethyl]-2-methylbutanamide
CID 94210718
N-[(1S)-1-[2-(methanesulfonamido)phenyl]ethyl]-3,3-dimethylbutanamide
CID 94062624
N-[1-(4-phenylphenyl)ethyl]-3-thiophen-3-ylpropanamide
CID 43022350
N-[3-(methanesulfonamido)phenyl]-3-thiophen-3-ylpropanamide
CID 39206218
3-[(2-chlorophenyl)sulfonylamino]-N-[1-[2-(methanesulfonamido)phenyl]ethyl]propanamide
CID 55933849
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-N',N'-dipropylpentanediamide
CID 56553112
2-(3-thiophen-3-ylpropanoylamino)propanoic acid
CID 115731118
2-cyclopentyl-N-[1-[2-(methanesulfonamido)phenyl]ethyl]acetamide
CID 131960912
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55934103
N-[2-(methanesulfonamido)ethyl]-3-thiophen-3-ylpropanamide
CID 36905667
N-[(2S)-1-aminopropan-2-yl]-3-thiophen-3-ylpropanamide
CID 120507235

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide (CID 55934358) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide is CC(NC(=O)CCc1ccsc1)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
The InChIKey is BXSOANOEVBMHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-12(17-16(19)8-7-13-9-10-22-11-13)14-5-3-4-6-15(14)18-23(2,20)21/h3-6,9-12,18H,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide has a molecular weight of 352.48 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 55934358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).