N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide

C18H21N3O2S — CID 25337709

IUPACN-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCc1cc(SCC(=O)N(C)CC(=O)NC2CC2)nc2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-12-9-17(20-15-6-4-3-5-14(12)15)24-11-18(23)21(2)10-16(22)19-13-7-8-13/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyBPNACEBXLPDJSF-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.37
Rot. Bonds6

About N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide

N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide (PubChem CID 25337709) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
PubChem CID25337709
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
SMILESCc1cc(SCC(=O)N(C)CC(=O)NC2CC2)nc2ccccc12
InChIInChI=1S/C18H21N3O2S/c1-12-9-17(20-15-6-4-3-5-14(12)15)24-11-18(23)21(2)10-16(22)19-13-7-8-13/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,22)
InChIKeyBPNACEBXLPDJSF-UHFFFAOYSA-N
XLogP2.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide
CID 4880236
N-methyl-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2423564
N-cyclopropyl-2-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 46645988
N-cyclopropyl-2-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 27625913
2-[[2-(1-cyclohexylbenzimidazol-2-yl)sulfanylacetyl]-methylamino]-N-cyclopropylacetamide
CID 41480326
N-cyclopropyl-2-[[2-(3-hydroxyphenyl)sulfanylacetyl]-methylamino]acetamide
CID 104590665
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 863275
sodium 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 23698351
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4034341
2-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]-methylamino]-N-propylacetamide
CID 9456581
N-cyclopropyl-2-[[2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetyl]-methylamino]acetamide
CID 41298746
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 31098743

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide (CID 25337709) is N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide is Cc1cc(SCC(=O)N(C)CC(=O)NC2CC2)nc2ccccc12.
What is the InChIKey of N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
The InChIKey is BPNACEBXLPDJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-9-17(20-15-6-4-3-5-14(12)15)24-11-18(23)21(2)10-16(22)19-13-7-8-13/h3-6,9,13H,7-8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide?
N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide has a molecular weight of 343.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[methyl-[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]acetamide is sourced from PubChem (CID 25337709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).