2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide

C13H17ClN2O2S — CID 102203779

IUPAC2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccccc1Cl)C(C)(C)S
InChIInChI=1S/C13H17ClN2O2S/c1-8(17)15-11(13(2,3)19)12(18)16-10-7-5-4-6-9(10)14/h4-7,11,19H,1-3H3,(H,15,17)(H,16,18)
InChIKeyPGLLPRWWAHTELZ-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.49
Rot. Bonds4

About 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide

2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide (PubChem CID 102203779) has the molecular formula C13H17ClN2O2S and a molecular weight of 300.81 g/mol. Its IUPAC name is 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide
PubChem CID102203779
Molecular FormulaC13H17ClN2O2S
Molecular Weight300.81 g/mol
Exact Mass300.07
IUPAC Name2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide
SMILESCC(=O)NC(C(=O)Nc1ccccc1Cl)C(C)(C)S
InChIInChI=1S/C13H17ClN2O2S/c1-8(17)15-11(13(2,3)19)12(18)16-10-7-5-4-6-9(10)14/h4-7,11,19H,1-3H3,(H,15,17)(H,16,18)
InChIKeyPGLLPRWWAHTELZ-UHFFFAOYSA-N
XLogP2.49
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-acetamido-N-(2-chlorophenyl)-3-sulfanylpropanamide
CID 59293509
2-acetamido-N-(2-chlorophenyl)-2-cyclopentylacetamide
CID 42885299
2-amino-N-(2-chlorophenyl)propanamide
CID 24704539
N-[2-[(2-chlorophenyl)carbamoylamino]ethyl]acetamide
CID 47103341
1-(2-chlorophenyl)-3-[(1S)-2,2,2-trichloro-1-hydroxyethyl]urea
CID 163171091
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
1-(2-chlorophenyl)-3-(3-hydroxy-2-methylbutan-2-yl)urea
CID 113342006
N-(2-chlorophenyl)-2-phenoxypropanamide
CID 2897832
(2R)-N-(2-chlorophenyl)-2-phenoxypropanamide
CID 837154
2-[(2-chlorophenyl)carbamoylamino]propanoic acid
CID 3838662
1-(2-chlorophenyl)-3-pentan-3-ylurea
CID 47103627
N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide?
The IUPAC name of 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide (CID 102203779) is 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide.
What is the SMILES notation for 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide?
The canonical SMILES for 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide is CC(=O)NC(C(=O)Nc1ccccc1Cl)C(C)(C)S.
What is the InChIKey of 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide?
The InChIKey is PGLLPRWWAHTELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2S/c1-8(17)15-11(13(2,3)19)12(18)16-10-7-5-4-6-9(10)14/h4-7,11,19H,1-3H3,(H,15,17)(H,16,18).
What are the key properties of 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide?
2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide has a molecular weight of 300.81 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-chlorophenyl)-3-methyl-3-sulfanylbutanamide is sourced from PubChem (CID 102203779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).