N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide

C15H18N4O2S — CID 118418588

IUPACN-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide
SMILESCCCNC(=O)NC(=O)C(C)Sc1cnc2ccccc2n1
InChIInChI=1S/C15H18N4O2S/c1-3-8-16-15(21)19-14(20)10(2)22-13-9-17-11-6-4-5-7-12(11)18-13/h4-7,9-10H,3,8H2,1-2H3,(H2,16,19,20,21)
InChIKeyOISRYUWRRCRRCV-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.35
Rot. Bonds5

About N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide

N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide (PubChem CID 118418588) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide
PubChem CID118418588
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC NameN-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide
SMILESCCCNC(=O)NC(=O)C(C)Sc1cnc2ccccc2n1
InChIInChI=1S/C15H18N4O2S/c1-3-8-16-15(21)19-14(20)10(2)22-13-9-17-11-6-4-5-7-12(11)18-13/h4-7,9-10H,3,8H2,1-2H3,(H2,16,19,20,21)
InChIKeyOISRYUWRRCRRCV-UHFFFAOYSA-N
XLogP2.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-2-quinoxalin-2-ylsulfanylpropanamide
CID 42947736
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(2R)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpropanamide
CID 26733168
(2R)-N-propyl-2-(4-quinoxalin-2-ylphenoxy)propanamide
CID 95086696
N-(ethylcarbamoyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide
CID 4814960
N-(ethylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 4804927
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 6412408
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214626
(E)-N-propyl-3-quinoxalin-2-ylprop-2-enamide
CID 29292325
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(ethylcarbamoyl)propanamide
CID 2638542
(2R)-N-(ethylcarbamoyl)-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanamide
CID 2639363
(2S)-2-phenyl-2-quinoxalin-2-ylsulfanylacetic acid
CID 736253

Frequently Asked Questions

What is the IUPAC name of N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide?
The IUPAC name of N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide (CID 118418588) is N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide is CCCNC(=O)NC(=O)C(C)Sc1cnc2ccccc2n1.
What is the InChIKey of N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide?
The InChIKey is OISRYUWRRCRRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-3-8-16-15(21)19-14(20)10(2)22-13-9-17-11-6-4-5-7-12(11)18-13/h4-7,9-10H,3,8H2,1-2H3,(H2,16,19,20,21).
What are the key properties of N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide?
N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide has a molecular weight of 318.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylcarbamoyl)-2-quinoxalin-2-ylsulfanylpropanamide is sourced from PubChem (CID 118418588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).