N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide

C17H23N3OS — CID 134060325

IUPACN-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1nc2ccccc2nc1C
InChIInChI=1S/C17H23N3OS/c1-6-17(4,5)20-15(21)12(3)22-16-11(2)18-13-9-7-8-10-14(13)19-16/h7-10,12H,6H2,1-5H3,(H,20,21)
InChIKeyVAVKXTPVVUUGHA-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.72
Rot. Bonds5

About N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide

N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide (PubChem CID 134060325) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
PubChem CID134060325
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
SMILESCCC(C)(C)NC(=O)C(C)Sc1nc2ccccc2nc1C
InChIInChI=1S/C17H23N3OS/c1-6-17(4,5)20-15(21)12(3)22-16-11(2)18-13-9-7-8-10-14(13)19-16/h7-10,12H,6H2,1-5H3,(H,20,21)
InChIKeyVAVKXTPVVUUGHA-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(2-methylbutan-2-yl)propanamide
CID 134037737
N-[4-(dimethylamino)phenyl]-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide
CID 46568943
3-(3-methylquinoxalin-2-yl)sulfanylbutan-1-ol
CID 66137216
N-(2-methylbutan-2-yl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 134037851
N-(2-methylbutan-2-yl)-2-(2H-triazol-4-ylsulfanyl)propanamide
CID 75379262
2-[3-(aminomethyl)phenyl]sulfanyl-N-(2-methylbutan-2-yl)propanamide
CID 66356220
2-[2-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetic acid
CID 60721401
2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 133244491
2-methyl-3-(3-methylquinoxalin-2-yl)sulfanylpropanoic acid
CID 64916743
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
N-benzyl-2-(2-methylquinazolin-4-yl)sulfanylpropanamide
CID 78452543
N-(2-methylbutan-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 78841268

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide (CID 134060325) is N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide is CCC(C)(C)NC(=O)C(C)Sc1nc2ccccc2nc1C.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
The InChIKey is VAVKXTPVVUUGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-6-17(4,5)20-15(21)12(3)22-16-11(2)18-13-9-7-8-10-14(13)19-16/h7-10,12H,6H2,1-5H3,(H,20,21).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide?
N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide has a molecular weight of 317.46 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3-methylquinoxalin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 134060325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).