2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide

C12H16ClN3O3S — CID 79149469

IUPAC2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1ccc(N)c(Cl)c1
InChIInChI=1S/C12H16ClN3O3S/c1-19-5-4-15-12(18)16-11(17)7-20-8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyGXTJYHQYGMEUTF-UHFFFAOYSA-N
MW317.80 g/mol
LogP1.49
Rot. Bonds6

About 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide

2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide (PubChem CID 79149469) has the molecular formula C12H16ClN3O3S and a molecular weight of 317.80 g/mol. Its IUPAC name is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
PubChem CID79149469
Molecular FormulaC12H16ClN3O3S
Molecular Weight317.80 g/mol
Exact Mass317.06
IUPAC Name2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
SMILESCOCCNC(=O)NC(=O)CSc1ccc(N)c(Cl)c1
InChIInChI=1S/C12H16ClN3O3S/c1-19-5-4-15-12(18)16-11(17)7-20-8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7,14H2,1H3,(H2,15,16,17,18)
InChIKeyGXTJYHQYGMEUTF-UHFFFAOYSA-N
XLogP1.49
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethylcarbamoyl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 29318007
2-(4-bromophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 7995383
2-(4-amino-2-methylphenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide
CID 43303107
N-[2-(4-amino-3-chlorophenyl)sulfanylacetyl]benzamide
CID 79130535
2-(4-amino-3-chlorophenyl)sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 79149634
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534
2-(4-amino-3-methylphenyl)sulfanyl-N-(3-methylbutylcarbamoyl)acetamide
CID 79126761
2-[[5-(2-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 41224732
N-(2-methoxyethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2651102
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-methoxyethylcarbamoyl)acetamide
CID 17433500
2-(4-amino-2-chlorophenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 43305347
2-(4-amino-3-chlorophenyl)sulfanyl-N,N-dimethylacetamide
CID 79150403

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The IUPAC name of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide (CID 79149469) is 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide is COCCNC(=O)NC(=O)CSc1ccc(N)c(Cl)c1.
What is the InChIKey of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
The InChIKey is GXTJYHQYGMEUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3S/c1-19-5-4-15-12(18)16-11(17)7-20-8-2-3-10(14)9(13)6-8/h2-3,6H,4-5,7,14H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide?
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide has a molecular weight of 317.80 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-chlorophenyl)sulfanyl-N-(2-methoxyethylcarbamoyl)acetamide is sourced from PubChem (CID 79149469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).