(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide

C12H19NO2S — CID 99630869

IUPAC(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
SMILESCCCCNC(=O)[C@@H](C)Sc1ccoc1C
InChIInChI=1S/C12H19NO2S/c1-4-5-7-13-12(14)10(3)16-11-6-8-15-9(11)2/h6,8,10H,4-5,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyNZCVAHHQSWVUMF-SNVBAGLBSA-N
MW241.36 g/mol
LogP2.98
Rot. Bonds6

About (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide

(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide (PubChem CID 99630869) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
PubChem CID99630869
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
SMILESCCCCNC(=O)[C@@H](C)Sc1ccoc1C
InChIInChI=1S/C12H19NO2S/c1-4-5-7-13-12(14)10(3)16-11-6-8-15-9(11)2/h6,8,10H,4-5,7H2,1-3H3,(H,13,14)/t10-/m1/s1
InChIKeyNZCVAHHQSWVUMF-SNVBAGLBSA-N
XLogP2.98
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide 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-butyl-2-(2-hydroxyphenyl)sulfanylpropanamide
CID 62026306
N-(butylcarbamoyl)-2-(2-methylfuran-3-yl)sulfanylacetamide
CID 86799348
2-methyl-N-pentylfuran-3-carboxamide
CID 4127379
2-(2-amino-5-chlorophenyl)sulfanyl-N-butylpropanamide
CID 79527884
N-butyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 43876418
(2S)-2-(4-methoxyphenyl)sulfanyl-N-pentylpropanamide
CID 38016340
2-(2-methylfuran-3-yl)sulfanylpentanoic acid
CID 107779094
methyl 3-(2-methylfuran-3-yl)sulfanylbutanoate
CID 107779007
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
2-methyl-4-(2-methylfuran-3-yl)sulfanyl-2-(propylamino)pentanoic acid
CID 107782178
N-[2-(butylamino)-2-oxoethyl]-N,2-dimethylfuran-3-carboxamide
CID 56758649
1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 114000854

Frequently Asked Questions

What is the IUPAC name of (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide (CID 99630869) is (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide is CCCCNC(=O)[C@@H](C)Sc1ccoc1C.
What is the InChIKey of (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide?
The InChIKey is NZCVAHHQSWVUMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-5-7-13-12(14)10(3)16-11-6-8-15-9(11)2/h6,8,10H,4-5,7H2,1-3H3,(H,13,14)/t10-/m1/s1.
What are the key properties of (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide?
(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide has a molecular weight of 241.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide is sourced from PubChem (CID 99630869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).