N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide

C25H22N2O2S — CID 56583498

IUPACN-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C25H22N2O2S/c1-2-29-22-15-9-8-14-21(22)27-25(28)24(18-10-4-3-5-11-18)30-23-16-17-26-20-13-7-6-12-19(20)23/h3-17,24H,2H2,1H3,(H,27,28)
InChIKeyZSMPGFQSSWZZSL-UHFFFAOYSA-N
MW414.53 g/mol
LogP6.11
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide

N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide (PubChem CID 56583498) has the molecular formula C25H22N2O2S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
PubChem CID56583498
Molecular FormulaC25H22N2O2S
Molecular Weight414.53 g/mol
Exact Mass414.14
IUPAC NameN-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide
SMILESCCOc1ccccc1NC(=O)C(Sc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C25H22N2O2S/c1-2-29-22-15-9-8-14-21(22)27-25(28)24(18-10-4-3-5-11-18)30-23-16-17-26-20-13-7-6-12-19(20)23/h3-17,24H,2H2,1H3,(H,27,28)
InChIKeyZSMPGFQSSWZZSL-UHFFFAOYSA-N
XLogP6.11
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539544
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16539497
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 7464564
(2R)-N-(2-ethoxyphenyl)-2-(4-fluorophenyl)sulfanyl-2-phenylacetamide
CID 7228798
(2R)-N-(2-ethoxyphenyl)-2-(4-methoxyphenyl)sulfanyl-2-phenylacetamide
CID 8907250
(2R)-N-(2-ethoxyphenyl)-2-[3-[(2R)-1-methoxypropan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 2413434
2-(1-benzylimidazol-2-yl)sulfanyl-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16580437
methyl 2-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylacetate
CID 18078996
N-(2-ethoxyphenyl)-2-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 3714253
N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-2-phenylacetamide
CID 18130809
(2R)-N-(2-ethoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-2-phenylacetamide
CID 40846770
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 16572356

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide (CID 56583498) is N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide is CCOc1ccccc1NC(=O)C(Sc1ccnc2ccccc12)c1ccccc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide?
The InChIKey is ZSMPGFQSSWZZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2S/c1-2-29-22-15-9-8-14-21(22)27-25(28)24(18-10-4-3-5-11-18)30-23-16-17-26-20-13-7-6-12-19(20)23/h3-17,24H,2H2,1H3,(H,27,28).
What are the key properties of N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide?
N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide has a molecular weight of 414.53 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-phenyl-2-quinolin-4-ylsulfanylacetamide is sourced from PubChem (CID 56583498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).