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

C17H22N2O3S2 — CID 15999915

IUPACN-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCCc1cccc(NC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)c1
InChIInChI=1S/C17H22N2O3S2/c1-4-13-7-5-8-14(11-13)18-17(20)16(12(2)3)19-24(21,22)15-9-6-10-23-15/h5-12,16,19H,4H2,1-3H3,(H,18,20)
InChIKeyKWHAKYWTPMXTCM-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.25
Rot. Bonds7

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

N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 15999915) has the molecular formula C17H22N2O3S2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID15999915
Molecular FormulaC17H22N2O3S2
Molecular Weight366.51 g/mol
Exact Mass366.11
IUPAC NameN-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCCc1cccc(NC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)c1
InChIInChI=1S/C17H22N2O3S2/c1-4-13-7-5-8-14(11-13)18-17(20)16(12(2)3)19-24(21,22)15-9-6-10-23-15/h5-12,16,19H,4H2,1-3H3,(H,18,20)
InChIKeyKWHAKYWTPMXTCM-UHFFFAOYSA-N
XLogP3.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylphenyl)-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

N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965305
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2R)-N-(3-fluoro-4-methylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 40644975
(2S)-3-methyl-N-(4-phenylmethoxyphenyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41228343
3-methyl-N-(4-phenylbutyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 24563572
N-[3-(piperidin-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 60544871
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
N-(3-iodophenyl)-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55645413
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
[(2S)-1-anilino-1-oxopropan-2-yl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 7977405
(2S)-N-[3-[benzyl(methyl)amino]propyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 29296315

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 15999915) is N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CCc1cccc(NC(=O)C(NS(=O)(=O)c2cccs2)C(C)C)c1.
What is the InChIKey of N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is KWHAKYWTPMXTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S2/c1-4-13-7-5-8-14(11-13)18-17(20)16(12(2)3)19-24(21,22)15-9-6-10-23-15/h5-12,16,19H,4H2,1-3H3,(H,18,20).
What are the key properties of N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 366.51 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 15999915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).