N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide

C17H21NO3S2 — CID 7268431

IUPACN-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S2/c1-13(2)11-17(19)18-12-16(15-9-6-10-22-15)23(20,21)14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyWMMLXHFQOQYGHS-MRXNPFEDSA-N
MW351.49 g/mol
LogP3.43
Rot. Bonds7

About N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide

N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide (PubChem CID 7268431) has the molecular formula C17H21NO3S2 and a molecular weight of 351.49 g/mol. Its IUPAC name is N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
PubChem CID7268431
Molecular FormulaC17H21NO3S2
Molecular Weight351.49 g/mol
Exact Mass351.10
IUPAC NameN-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H21NO3S2/c1-13(2)11-17(19)18-12-16(15-9-6-10-22-15)23(20,21)14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyWMMLXHFQOQYGHS-MRXNPFEDSA-N
XLogP3.43
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide 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-[2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22583984
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(3-methylbutyl)oxamide
CID 7268429
N-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide
CID 9167906
N-[(2R)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]acetamide
CID 9167306
N-[2-(4-fluorophenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315057
N-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]ethanesulfonamide
CID 7280102
N-[2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]-3,3-dimethylbutanamide
CID 22584092
2-phenyl-N-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)acetamide
CID 110315182
N-[2-(4-methoxyphenyl)sulfonyl-2-phenylethyl]-3-methylbutanamide
CID 110315082
N-[(2S)-2-(4-fluorophenyl)sulfonyl-2-thiophen-2-ylethyl]benzamide
CID 7279927
N'-[(2S)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 27564557
N'-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 40774888

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide?
The IUPAC name of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide (CID 7268431) is N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide.
What is the SMILES notation for N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide?
The canonical SMILES for N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide is CC(C)CC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide?
The InChIKey is WMMLXHFQOQYGHS-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21NO3S2/c1-13(2)11-17(19)18-12-16(15-9-6-10-22-15)23(20,21)14-7-4-3-5-8-14/h3-10,13,16H,11-12H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide?
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide has a molecular weight of 351.49 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-3-methylbutanamide is sourced from PubChem (CID 7268431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).