2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide

C13H14N2O2S2 — CID 107769632

IUPAC2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C13H14N2O2S2/c1-8(16)14-11(7-18)13(17)15-10-2-3-12-9(6-10)4-5-19-12/h2-6,11,18H,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyIELVSBBGMHSHIO-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.27
Rot. Bonds4

About 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide

2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide (PubChem CID 107769632) has the molecular formula C13H14N2O2S2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
PubChem CID107769632
Molecular FormulaC13H14N2O2S2
Molecular Weight294.40 g/mol
Exact Mass294.05
IUPAC Name2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide
SMILESCC(=O)NC(CS)C(=O)Nc1ccc2sccc2c1
InChIInChI=1S/C13H14N2O2S2/c1-8(16)14-11(7-18)13(17)15-10-2-3-12-9(6-10)4-5-19-12/h2-6,11,18H,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyIELVSBBGMHSHIO-UHFFFAOYSA-N
XLogP2.27
TPSA58.20 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-N-(4-hydroxyphenyl)-3-sulfanylpropanamide
CID 12850521
N-(1-benzothiophen-5-yl)-2,2-diphenylacetamide
CID 3632850
(2R)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 104902766
(2S)-2-amino-N-(1-benzothiophen-5-yl)-4-methylpentanamide
CID 61179447
2-(aminomethyl)-N-(1-benzothiophen-5-yl)-4,4-dimethylpentanamide
CID 107471323
N-(1-benzothiophen-5-yl)-2-cyanobutanamide
CID 65473775
2-acetamido-N-(3-ethylphenyl)-3-sulfanylpropanamide
CID 107769022
2-acetamido-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769620
2-acetamido-N-(4-methylsulfonylphenyl)-3-sulfanylpropanamide
CID 107769049
3-(1-benzothiophen-5-ylcarbamoylamino)butanoic acid
CID 65453593
4-amino-5-(1-benzothiophen-5-ylamino)-5-oxopentanoic acid
CID 64897152
methyl (2S)-2-acetamido-3-(1-benzothiophen-5-yl)propanoate
CID 139813685

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide?
The IUPAC name of 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide (CID 107769632) is 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide.
What is the SMILES notation for 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide?
The canonical SMILES for 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide is CC(=O)NC(CS)C(=O)Nc1ccc2sccc2c1.
What is the InChIKey of 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide?
The InChIKey is IELVSBBGMHSHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S2/c1-8(16)14-11(7-18)13(17)15-10-2-3-12-9(6-10)4-5-19-12/h2-6,11,18H,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide?
2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide has a molecular weight of 294.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(1-benzothiophen-5-yl)-3-sulfanylpropanamide is sourced from PubChem (CID 107769632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).