3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide

C17H21N3O4S2 — CID 55985097

IUPAC3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1S(=O)(=O)N(C)C)c1cccs1
InChIInChI=1S/C17H21N3O4S2/c1-12(21)18-14(15-8-6-10-25-15)11-17(22)19-13-7-4-5-9-16(13)26(23,24)20(2)3/h4-10,14H,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyCNVITQLERMNKOT-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.20
Rot. Bonds7

About 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide

3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide (PubChem CID 55985097) has the molecular formula C17H21N3O4S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
PubChem CID55985097
Molecular FormulaC17H21N3O4S2
Molecular Weight395.51 g/mol
Exact Mass395.10
IUPAC Name3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide
SMILESCC(=O)NC(CC(=O)Nc1ccccc1S(=O)(=O)N(C)C)c1cccs1
InChIInChI=1S/C17H21N3O4S2/c1-12(21)18-14(15-8-6-10-25-15)11-17(22)19-13-7-4-5-9-16(13)26(23,24)20(2)3/h4-10,14H,11H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyCNVITQLERMNKOT-UHFFFAOYSA-N
XLogP2.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(2-bromophenyl)-3-thiophen-2-ylpropanamide
CID 51309268
3-acetamido-N-ethyl-3-thiophen-2-ylpropanamide
CID 47137622
3-acetamido-N-(4-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 46697558
3-acetamido-N-(4-bromo-2-chlorophenyl)-3-thiophen-2-ylpropanamide
CID 55499971
3-acetamido-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-thiophen-2-ylpropanamide
CID 55573033
N-[(1R)-2-(benzenesulfonyl)-1-thiophen-2-ylethyl]acetamide
CID 177465395
(3S)-3-acetamido-N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-thiophen-2-ylpropanamide
CID 29418275
3-acetamido-N-cyano-3-thiophen-2-ylpropanamide
CID 79193756
3-[(3-acetamido-3-thiophen-2-ylpropanoyl)amino]butanoic acid
CID 43360839
3-acetamido-N-(2-methylprop-2-enyl)-3-thiophen-2-ylpropanamide
CID 114618717
methyl 2-[(3-acetamido-3-thiophen-2-ylpropanoyl)-methylamino]acetate
CID 43409775
3-acetamido-N-(4-methyl-1H-pyrazol-5-yl)-3-thiophen-2-ylpropanamide
CID 115629975

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide (CID 55985097) is 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide is CC(=O)NC(CC(=O)Nc1ccccc1S(=O)(=O)N(C)C)c1cccs1.
What is the InChIKey of 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
The InChIKey is CNVITQLERMNKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4S2/c1-12(21)18-14(15-8-6-10-25-15)11-17(22)19-13-7-4-5-9-16(13)26(23,24)20(2)3/h4-10,14H,11H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide?
3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide has a molecular weight of 395.51 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-(dimethylsulfamoyl)phenyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 55985097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).