N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide

C15H18N2O3S2 — CID 34640507

IUPACN-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)CCc2cccs2)c1
InChIInChI=1S/C15H18N2O3S2/c1-16-22(19,20)14-6-2-4-12(10-14)11-17-15(18)8-7-13-5-3-9-21-13/h2-6,9-10,16H,7-8,11H2,1H3,(H,17,18)
InChIKeyVUICGARFWYOFRM-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.91
Rot. Bonds7

About N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide

N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide (PubChem CID 34640507) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
PubChem CID34640507
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide
SMILESCNS(=O)(=O)c1cccc(CNC(=O)CCc2cccs2)c1
InChIInChI=1S/C15H18N2O3S2/c1-16-22(19,20)14-6-2-4-12(10-14)11-17-15(18)8-7-13-5-3-9-21-13/h2-6,9-10,16H,7-8,11H2,1H3,(H,17,18)
InChIKeyVUICGARFWYOFRM-UHFFFAOYSA-N
XLogP1.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromophenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570732
3-(3-chlorophenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 47129005
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
N-(1,3-benzodioxol-5-ylmethyl)-3-thiophen-2-ylpropanamide
CID 9112024
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-[(2S)-oxolan-2-yl]propanamide
CID 34685373
5-bromo-N-[[3-(methylsulfamoyl)phenyl]methyl]thiophene-3-carboxamide
CID 34646544
3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 131909908
N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
N-[[3-(butanoylamino)phenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 55843814
N-[(3-cyanophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 47161616
2-(2,3-dihydro-1H-inden-5-yl)-N-[[3-(methylsulfamoyl)phenyl]methyl]acetamide
CID 34640391
N-[(3-methoxyphenyl)methyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007299

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide (CID 34640507) is N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide is CNS(=O)(=O)c1cccc(CNC(=O)CCc2cccs2)c1.
What is the InChIKey of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is VUICGARFWYOFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-16-22(19,20)14-6-2-4-12(10-14)11-17-15(18)8-7-13-5-3-9-21-13/h2-6,9-10,16H,7-8,11H2,1H3,(H,17,18).
What are the key properties of N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide?
N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 1.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methylsulfamoyl)phenyl]methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 34640507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).