N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

C19H18N4O2S — CID 35503002

IUPACN-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H18N4O2S/c1-12-7-9-14(10-8-12)21-19(25)23-17(24)11-26-18-13(2)20-15-5-3-4-6-16(15)22-18/h3-10H,11H2,1-2H3,(H2,21,23,24,25)
InChIKeyANEYEOULSIHKKF-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.69
Rot. Bonds4

About N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide

N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (PubChem CID 35503002) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
PubChem CID35503002
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
SMILESCc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cc1
InChIInChI=1S/C19H18N4O2S/c1-12-7-9-14(10-8-12)21-19(25)23-17(24)11-26-18-13(2)20-15-5-3-4-6-16(15)22-18/h3-10H,11H2,1-2H3,(H2,21,23,24,25)
InChIKeyANEYEOULSIHKKF-UHFFFAOYSA-N
XLogP3.69
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide (CID 35503002) is N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is Cc1ccc(NC(=O)NC(=O)CSc2nc3ccccc3nc2C)cc1.
What is the InChIKey of N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
The InChIKey is ANEYEOULSIHKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-12-7-9-14(10-8-12)21-19(25)23-17(24)11-26-18-13(2)20-15-5-3-4-6-16(15)22-18/h3-10H,11H2,1-2H3,(H2,21,23,24,25).
What are the key properties of N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide?
N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide has a molecular weight of 366.45 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide is sourced from PubChem (CID 35503002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).