(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide

C16H19N3O2S — CID 41328404

IUPAC(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
SMILESCc1cc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-9(2)14(15(20)19-16(17)21)22-13-8-10(3)11-6-4-5-7-12(11)18-13/h4-9,14H,1-3H3,(H3,17,19,20,21)/t14-/m1/s1
InChIKeyNPTISBXYDNMKOL-CQSZACIVSA-N
MW317.41 g/mol
LogP2.85
Rot. Bonds4

About (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide

(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide (PubChem CID 41328404) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
PubChem CID41328404
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
SMILESCc1cc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc12
InChIInChI=1S/C16H19N3O2S/c1-9(2)14(15(20)19-16(17)21)22-13-8-10(3)11-6-4-5-7-12(11)18-13/h4-9,14H,1-3H3,(H3,17,19,20,21)/t14-/m1/s1
InChIKeyNPTISBXYDNMKOL-CQSZACIVSA-N
XLogP2.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide
CID 7144979
N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 4876152
N-carbamoyl-3-methyl-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide
CID 42978093
N-(2-methylpropyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 46621109
(2S)-N-carbamoyl-2-[3-(2-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-3-methylbutanamide
CID 7438596
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-methylquinolin-2-yl)sulfanylpropanamide
CID 41084416
ethyl (2R)-2-(4-methylquinolin-2-yl)sulfanylbutanoate
CID 864913
(2S)-2-(4-methylquinolin-2-yl)sulfanyl-N-(2,4,5-trichlorophenyl)propanamide
CID 2420043
(2S)-N-carbamoyl-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-3-methylbutanamide
CID 7855393
N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
CID 42900284
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenoxyphenyl)propanamide
CID 3557418
N-carbamoyl-3-methyl-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]butanamide
CID 51140589

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The IUPAC name of (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide (CID 41328404) is (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The canonical SMILES for (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide is Cc1cc(S[C@@H](C(=O)NC(N)=O)C(C)C)nc2ccccc12.
What is the InChIKey of (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
The InChIKey is NPTISBXYDNMKOL-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-9(2)14(15(20)19-16(17)21)22-13-8-10(3)11-6-4-5-7-12(11)18-13/h4-9,14H,1-3H3,(H3,17,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide?
(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide has a molecular weight of 317.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 41328404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).