2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide

C10H12ClN3O3S — CID 57209393

IUPAC2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)N(S)CC(N)=O
InChIInChI=1S/C10H12ClN3O3S/c1-17-8-3-2-6(11)4-7(8)13-10(16)14(18)5-9(12)15/h2-4,18H,5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyUGCJVVPJHJDQQZ-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.51
Rot. Bonds4

About 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide

2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide (PubChem CID 57209393) has the molecular formula C10H12ClN3O3S and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide
PubChem CID57209393
Molecular FormulaC10H12ClN3O3S
Molecular Weight289.74 g/mol
Exact Mass289.03
IUPAC Name2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)N(S)CC(N)=O
InChIInChI=1S/C10H12ClN3O3S/c1-17-8-3-2-6(11)4-7(8)13-10(16)14(18)5-9(12)15/h2-4,18H,5H2,1H3,(H2,12,15)(H,13,16)
InChIKeyUGCJVVPJHJDQQZ-UHFFFAOYSA-N
XLogP1.51
TPSA84.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.51
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

N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
2-[butan-2-yl-[(5-chloro-2-methoxyphenyl)carbamoyl]amino]acetic acid
CID 61184960
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822492
4-(2-amino-2-oxoethoxy)-N-(5-chloro-2-methoxyphenyl)-3,5-dimethoxybenzamide
CID 17470265
2-[(2-amino-2-methylpropyl)-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 120847420
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoro-N-methylanilino)acetamide
CID 60573040
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide (CID 57209393) is 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide is COc1ccc(Cl)cc1NC(=O)N(S)CC(N)=O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide?
The InChIKey is UGCJVVPJHJDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3S/c1-17-8-3-2-6(11)4-7(8)13-10(16)14(18)5-9(12)15/h2-4,18H,5H2,1H3,(H2,12,15)(H,13,16).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide?
2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide has a molecular weight of 289.74 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)carbamoyl-sulfanylamino]acetamide is sourced from PubChem (CID 57209393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).