N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide

C21H22N2O3S — CID 7755135

IUPACN-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1OCC
InChIInChI=1S/C21H22N2O3S/c1-3-25-18-11-10-16(13-19(18)26-4-2)22-20(24)14-27-21-12-9-15-7-5-6-8-17(15)23-21/h5-13H,3-4,14H2,1-2H3,(H,22,24)
InChIKeyQQGPLRGEVUHXOK-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.76
Rot. Bonds8

About N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide

N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 7755135) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID7755135
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC NameN-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1OCC
InChIInChI=1S/C21H22N2O3S/c1-3-25-18-11-10-16(13-19(18)26-4-2)22-20(24)14-27-21-12-9-15-7-5-6-8-17(15)23-21/h5-13H,3-4,14H2,1-2H3,(H,22,24)
InChIKeyQQGPLRGEVUHXOK-UHFFFAOYSA-N
XLogP4.76
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755203
N-(4-chlorophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 890803
N-(3-bromophenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755220
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-quinolin-2-ylsulfanylacetamide
CID 1278676
2-(2,6-dichlorophenyl)sulfanyl-N-(3,4-diethoxyphenyl)acetamide
CID 7466998
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675
N-(5-chloro-2-methoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
CID 7755341
N-(3,4-diethoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2460546
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(3,4-diethoxyphenyl)carbamoyl]acetamide
CID 7756293
N-(3,4-diethoxyphenyl)-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8988171
N-(3,4-diethoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 8021977
N-(3,4-diethoxyphenyl)-2-sulfanylacetamide
CID 60650095

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide (CID 7755135) is N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is QQGPLRGEVUHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-3-25-18-11-10-16(13-19(18)26-4-2)22-20(24)14-27-21-12-9-15-7-5-6-8-17(15)23-21/h5-13H,3-4,14H2,1-2H3,(H,22,24).
What are the key properties of N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 382.49 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 7755135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).