N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide

C18H15FN4O4S — CID 127043320

IUPACN-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide
SMILESCc1nc2ccccc2nc1S(=O)(=O)CC(=O)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O4S/c1-11-17(22-15-5-3-2-4-14(15)20-11)28(26,27)10-16(24)23-18(25)21-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24,25)
InChIKeyAWVSELISDJPTGI-UHFFFAOYSA-N
MW402.41 g/mol
LogP2.20
Rot. Bonds4

About N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide

N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide (PubChem CID 127043320) has the molecular formula C18H15FN4O4S and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide
PubChem CID127043320
Molecular FormulaC18H15FN4O4S
Molecular Weight402.41 g/mol
Exact Mass402.08
IUPAC NameN-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide
SMILESCc1nc2ccccc2nc1S(=O)(=O)CC(=O)NC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H15FN4O4S/c1-11-17(22-15-5-3-2-4-14(15)20-11)28(26,27)10-16(24)23-18(25)21-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24,25)
InChIKeyAWVSELISDJPTGI-UHFFFAOYSA-N
XLogP2.20
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide
CID 118418605
2-(3-benzylquinoxalin-2-yl)sulfanyl-N-[(4-fluorophenyl)carbamoyl]acetamide
CID 118418598
N-(4-fluorophenyl)-2-(4-fluorophenyl)sulfonylacetamide
CID 7544878
N-(2,3-dimethylquinoxalin-6-yl)-2-(4-fluorophenyl)acetamide
CID 110723812
2-(4-fluorophenyl)sulfonyl-N'-(4-methylquinolin-2-yl)acetohydrazide
CID 7600170
5-[(4-fluorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 28931821
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8688461
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
1-[(2R)-1-ethylsulfonylpropan-2-yl]-3-(4-fluorophenyl)urea
CID 95626056
N-(4-fluorophenyl)-2-[2-(N-methylanilino)-2-oxoethyl]sulfonylacetamide
CID 39076339
1-(benzenecarbonothioyl)-3-(4-fluorophenyl)urea
CID 972849
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide?
The IUPAC name of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide (CID 127043320) is N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide.
What is the SMILES notation for N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide?
The canonical SMILES for N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide is Cc1nc2ccccc2nc1S(=O)(=O)CC(=O)NC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide?
The InChIKey is AWVSELISDJPTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O4S/c1-11-17(22-15-5-3-2-4-14(15)20-11)28(26,27)10-16(24)23-18(25)21-13-8-6-12(19)7-9-13/h2-9H,10H2,1H3,(H2,21,23,24,25).
What are the key properties of N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide?
N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide has a molecular weight of 402.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)carbamoyl]-2-(3-methylquinoxalin-2-yl)sulfonylacetamide is sourced from PubChem (CID 127043320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).