2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide

C13H18N2O2S — CID 107769022

IUPAC2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
SMILESCCc1cccc(NC(=O)C(CS)NC(C)=O)c1
InChIInChI=1S/C13H18N2O2S/c1-3-10-5-4-6-11(7-10)15-13(17)12(8-18)14-9(2)16/h4-7,12,18H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNOMWVRPPVOHNEE-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.62
Rot. Bonds5

About 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide

2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide (PubChem CID 107769022) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
PubChem CID107769022
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
SMILESCCc1cccc(NC(=O)C(CS)NC(C)=O)c1
InChIInChI=1S/C13H18N2O2S/c1-3-10-5-4-6-11(7-10)15-13(17)12(8-18)14-9(2)16/h4-7,12,18H,3,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyNOMWVRPPVOHNEE-UHFFFAOYSA-N
XLogP1.62
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.62
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

2-acetamido-N-(3-butan-2-yloxyphenyl)-3-sulfanylpropanamide
CID 107769444
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
N-(3-ethylphenyl)-2-methyl-3-(methylamino)propanamide
CID 79196152
2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
CID 12850521
2-chloro-N-(3-ethylphenyl)butanamide
CID 20553592
2-[(3-ethylphenyl)carbamoylamino]-3-methoxypropanoic acid
CID 81086104
N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
(2R)-2-amino-N-(3-ethylphenyl)pentanamide
CID 103793845
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
CID 107769632
2-amino-N-(3-ethylphenyl)pentanamide;hydrochloride
CID 119263935
2-amino-N-(3-ethylphenyl)butanediamide
CID 54928255

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide (CID 107769022) is 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide is CCc1cccc(NC(=O)C(CS)NC(C)=O)c1.
What is the InChIKey of 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide?
The InChIKey is NOMWVRPPVOHNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-10-5-4-6-11(7-10)15-13(17)12(8-18)14-9(2)16/h4-7,12,18H,3,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide?
2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide has a molecular weight of 266.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).