N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide

C18H23N3O2S — CID 4876152

IUPACN-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCc1cc(C)c2nc(SC(C(=O)NC(N)=O)C(C)C)cc(C)c2c1
InChIInChI=1S/C18H23N3O2S/c1-9(2)16(17(22)21-18(19)23)24-14-8-11(4)13-7-10(3)6-12(5)15(13)20-14/h6-9,16H,1-5H3,(H3,19,21,22,23)
InChIKeyGCKOBWUBEPBODS-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.47
Rot. Bonds4

About N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide

N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (PubChem CID 4876152) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.

Molecular Properties

Compound NameN-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
PubChem CID4876152
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
SMILESCc1cc(C)c2nc(SC(C(=O)NC(N)=O)C(C)C)cc(C)c2c1
InChIInChI=1S/C18H23N3O2S/c1-9(2)16(17(22)21-18(19)23)24-14-8-11(4)13-7-10(3)6-12(5)15(13)20-14/h6-9,16H,1-5H3,(H3,19,21,22,23)
InChIKeyGCKOBWUBEPBODS-UHFFFAOYSA-N
XLogP3.47
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-carbamoyl-3-methyl-2-(4-methylquinolin-2-yl)sulfanylbutanamide
CID 41328404
2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 860358
N-carbamoyl-3-methyl-2-(2,3,5,6-tetramethylphenyl)sulfanylbutanamide
CID 42900284
N-(3,5-dimethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302166
N-(4-ethylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302158
N-(4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302157
(2S)-N-carbamoyl-3-methyl-2-(2-methylquinazolin-4-yl)sulfanylbutanamide
CID 7144979
N-(1,3-benzodioxol-5-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide
CID 5035343
N-[(2S)-butan-2-yl]-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide
CID 2582039
N-(3-chloro-4-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide
CID 46302173
2-[2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 46302269
(2R)-2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7630969

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The IUPAC name of N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide (CID 4876152) is N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide.
What is the SMILES notation for N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The canonical SMILES for N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is Cc1cc(C)c2nc(SC(C(=O)NC(N)=O)C(C)C)cc(C)c2c1.
What is the InChIKey of N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
The InChIKey is GCKOBWUBEPBODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-9(2)16(17(22)21-18(19)23)24-14-8-11(4)13-7-10(3)6-12(5)15(13)20-14/h6-9,16H,1-5H3,(H3,19,21,22,23).
What are the key properties of N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide?
N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide has a molecular weight of 345.47 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-methyl-2-(4,6,8-trimethylquinolin-2-yl)sulfanylbutanamide is sourced from PubChem (CID 4876152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).