2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide

C9H10ClN3O2S — CID 57266562

IUPAC2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide
SMILESNC(=O)CN(S)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C9H10ClN3O2S/c10-6-3-1-2-4-7(6)12-9(15)13(16)5-8(11)14/h1-4,16H,5H2,(H2,11,14)(H,12,15)
InChIKeyHYVVMMOERLKRRH-UHFFFAOYSA-N
MW259.72 g/mol
LogP1.50
Rot. Bonds3

About 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide

2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide (PubChem CID 57266562) has the molecular formula C9H10ClN3O2S and a molecular weight of 259.72 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide
PubChem CID57266562
Molecular FormulaC9H10ClN3O2S
Molecular Weight259.72 g/mol
Exact Mass259.02
IUPAC Name2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide
SMILESNC(=O)CN(S)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C9H10ClN3O2S/c10-6-3-1-2-4-7(6)12-9(15)13(16)5-8(11)14/h1-4,16H,5H2,(H2,11,14)(H,12,15)
InChIKeyHYVVMMOERLKRRH-UHFFFAOYSA-N
XLogP1.50
TPSA75.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.72
LogP ≤ 51.50
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-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide
CID 57209393
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
2-[(2-amino-2-oxoethyl)-[(3-chloro-2-methylphenyl)carbamoyl]amino]acetic acid
CID 107437366
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
2-[(2-amino-2-oxoethyl)-[(2-bromo-3-chlorophenyl)carbamoyl]amino]acetic acid
CID 107439466
1-carbamothioyl-3-(2-chlorophenyl)urea
CID 134087665
2-[[2-(2-chloroanilino)-2-oxoethyl]disulfanyl]-N-(2-chlorophenyl)acetamide
CID 71330084
3-(2-chlorophenyl)-1-(4-cyanophenyl)-1-methylurea
CID 62981730
2-(2-amino-2-sulfanylideneethyl)sulfanyl-N-(2-chlorophenyl)acetamide
CID 82182296
2-[2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]phenyl]acetic acid
CID 62536518
2-[2-[(2-chloroanilino)methyl]phenyl]acetamide
CID 21235296

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide?
The IUPAC name of 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide (CID 57266562) is 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide is NC(=O)CN(S)C(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide?
The InChIKey is HYVVMMOERLKRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3O2S/c10-6-3-1-2-4-7(6)12-9(15)13(16)5-8(11)14/h1-4,16H,5H2,(H2,11,14)(H,12,15).
What are the key properties of 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide?
2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide has a molecular weight of 259.72 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)carbamoyl-sulfanylamino]acetamide is sourced from PubChem (CID 57266562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).