N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide

C25H22N2OS — CID 4034341

IUPACN-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2OS/c1-18-16-24(26-22-15-9-8-14-21(18)22)29-17-23(28)27-25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,25H,17H2,1H3,(H,27,28)
InChIKeyQGOZAFUVUJGJNK-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.54
Rot. Bonds6

About N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide

N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide (PubChem CID 4034341) has the molecular formula C25H22N2OS and a molecular weight of 398.53 g/mol. Its IUPAC name is N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
PubChem CID4034341
Molecular FormulaC25H22N2OS
Molecular Weight398.53 g/mol
Exact Mass398.15
IUPAC NameN-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2ccccc12
InChIInChI=1S/C25H22N2OS/c1-18-16-24(26-22-15-9-8-14-21(18)22)29-17-23(28)27-25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,25H,17H2,1H3,(H,27,28)
InChIKeyQGOZAFUVUJGJNK-UHFFFAOYSA-N
XLogP5.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylquinolin-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2488351
2-(4-methylquinolin-2-yl)sulfanyl-N-(4-phenylbutan-2-yl)acetamide
CID 4683672
N-(2,6-dichlorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 9107262
N-(1,3-benzothiazol-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39765940
sodium 2-(4-methylquinolin-2-yl)sulfanylacetate
CID 23698351
4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid
CID 4791146
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 2430340
N-(2,6-difluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 4800101
4-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]benzoic acid
CID 22695352
N-(2-fluorophenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 755909
N-(9,10-dioxoanthracen-2-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 5034835
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 18205272

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The IUPAC name of N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide (CID 4034341) is N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The canonical SMILES for N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide is Cc1cc(SCC(=O)NC(c2ccccc2)c2ccccc2)nc2ccccc12.
What is the InChIKey of N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
The InChIKey is QGOZAFUVUJGJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2OS/c1-18-16-24(26-22-15-9-8-14-21(18)22)29-17-23(28)27-25(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-16,25H,17H2,1H3,(H,27,28).
What are the key properties of N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide?
N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide has a molecular weight of 398.53 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-(4-methylquinolin-2-yl)sulfanylacetamide is sourced from PubChem (CID 4034341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).