N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

C16H20N2O3S2 — CID 22427284

IUPACN-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H20N2O3S2/c1-12(2)15(18-23(20,21)14-9-6-10-22-14)16(19)17-11-13-7-4-3-5-8-13/h3-10,12,15,18H,11H2,1-2H3,(H,17,19)
InChIKeyDPJOHZHKXFAHKN-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.37
Rot. Bonds7

About N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 22427284) has the molecular formula C16H20N2O3S2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID22427284
Molecular FormulaC16H20N2O3S2
Molecular Weight352.48 g/mol
Exact Mass352.09
IUPAC NameN-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H20N2O3S2/c1-12(2)15(18-23(20,21)14-9-6-10-22-14)16(19)17-11-13-7-4-3-5-8-13/h3-10,12,15,18H,11H2,1-2H3,(H,17,19)
InChIKeyDPJOHZHKXFAHKN-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24563572
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 42006334
(2S)-N-[3-[benzyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 29296315
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 30462247
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
(2S)-3-methyl-N-(4-phenylmethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41228343
N-benzhydryl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999909
N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 15999915
3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 43005231

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 22427284) is N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)C(NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is DPJOHZHKXFAHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S2/c1-12(2)15(18-23(20,21)14-9-6-10-22-14)16(19)17-11-13-7-4-3-5-8-13/h3-10,12,15,18H,11H2,1-2H3,(H,17,19).
What are the key properties of N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 352.48 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 22427284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).