N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C18H15ClN4O2S — CID 127044788

IUPACN-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN4O2S/c1-11-17(21-15-9-5-4-8-14(15)20-11)26-10-16(24)23-18(25)22-13-7-3-2-6-12(13)19/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyHTQITRXKQVAIKX-UHFFFAOYSA-N
MW386.86 g/mol
LogP4.03
Rot. Bonds4

About N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 127044788) has the molecular formula C18H15ClN4O2S and a molecular weight of 386.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID127044788
Molecular FormulaC18H15ClN4O2S
Molecular Weight386.86 g/mol
Exact Mass386.06
IUPAC NameN-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15ClN4O2S/c1-11-17(21-15-9-5-4-8-14(15)20-11)26-10-16(24)23-18(25)22-13-7-3-2-6-12(13)19/h2-9H,10H2,1H3,(H2,22,23,24,25)
InChIKeyHTQITRXKQVAIKX-UHFFFAOYSA-N
XLogP4.03
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.86
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 127044788) is N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1nc2ccccc2nc1SCC(=O)NC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is HTQITRXKQVAIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2S/c1-11-17(21-15-9-5-4-8-14(15)20-11)26-10-16(24)23-18(25)22-13-7-3-2-6-12(13)19/h2-9H,10H2,1H3,(H2,22,23,24,25).
What are the key properties of N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 386.86 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 127044788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).