2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide

C10H11ClN2O2S — CID 43145996

IUPAC2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
SMILESCSc1cccc(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C10H11ClN2O2S/c1-16-8-4-2-3-7(5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyZCTNKZLDARYXAM-UHFFFAOYSA-N
MW258.73 g/mol
LogP2.30
Rot. Bonds3

About 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide

2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide (PubChem CID 43145996) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
PubChem CID43145996
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide
SMILESCSc1cccc(NC(=O)NC(=O)CCl)c1
InChIInChI=1S/C10H11ClN2O2S/c1-16-8-4-2-3-7(5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15)
InChIKeyZCTNKZLDARYXAM-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dichlorophenyl)-3-(3-methylsulfanylphenyl)urea
CID 127577317
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790
1-(3-methylsulfanylphenyl)-3-(3-oxobutyl)urea
CID 108895083
1-(3-hydroxypropyl)-3-(3-methylsulfanylphenyl)urea
CID 110890355
N-(3-methylsulfanylphenyl)-2-sulfanylacetamide
CID 54336720
2-[(3-methylsulfanylphenyl)carbamoylamino]acetic acid
CID 43445764
1-(2,6-diethylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839944
1-(3-fluoro-4-methylphenyl)-3-(3-methylsulfanylphenyl)urea
CID 112839665
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
(3-methylsulfanylphenyl)carbamothioic S-acid
CID 154169667
1-benzyl-3-(3-methylsulfanylphenyl)urea
CID 2822822
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 62831539

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide (CID 43145996) is 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide is CSc1cccc(NC(=O)NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide?
The InChIKey is ZCTNKZLDARYXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-16-8-4-2-3-7(5-8)12-10(15)13-9(14)6-11/h2-5H,6H2,1H3,(H2,12,13,14,15).
What are the key properties of 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide?
2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide has a molecular weight of 258.73 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3-methylsulfanylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 43145996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).