N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide

C25H26N2O2S — CID 43814195

IUPACN-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)c1
InChIInChI=1S/C25H26N2O2S/c1-17(28)19-10-6-11-22(15-19)26-24(29)16-30-25-21(13-18-7-2-3-8-18)14-20-9-4-5-12-23(20)27-25/h4-6,9-12,14-15,18H,2-3,7-8,13,16H2,1H3,(H,26,29)
InChIKeyQEGQWUQLXPVSMJ-UHFFFAOYSA-N
MW418.56 g/mol
LogP5.90
Rot. Bonds7

About N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide

N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide (PubChem CID 43814195) has the molecular formula C25H26N2O2S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide
PubChem CID43814195
Molecular FormulaC25H26N2O2S
Molecular Weight418.56 g/mol
Exact Mass418.17
IUPAC NameN-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide
SMILESCC(=O)c1cccc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)c1
InChIInChI=1S/C25H26N2O2S/c1-17(28)19-10-6-11-22(15-19)26-24(29)16-30-25-21(13-18-7-2-3-8-18)14-20-9-4-5-12-23(20)27-25/h4-6,9-12,14-15,18H,2-3,7-8,13,16H2,1H3,(H,26,29)
InChIKeyQEGQWUQLXPVSMJ-UHFFFAOYSA-N
XLogP5.90
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.56
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7988583
N-(3-acetylphenyl)-2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135538320
N-(3-acetylphenyl)-2-[(1-ethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53028757
N-cyclopentyl-2-(3-methylquinolin-2-yl)sulfanylacetamide
CID 860331
N-(3-acetylphenyl)-2-[(1-propan-2-yl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)sulfanyl]acetamide
CID 53082756
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642
N-(3-acetylphenyl)-2-(1H-perimidin-2-ylsulfanyl)acetamide
CID 7681139
methyl 3-[[2-[(7-ethyl-[1,3]dioxolo[4,5-g]quinolin-6-yl)sulfanyl]acetyl]amino]benzoate
CID 3208303
N-[4-[2-(3-ethylquinolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 3207929
2-(3-ethylquinolin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 648574
N-(3-acetylphenyl)-2-[[(7R)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]acetamide
CID 6551226
[2-(cyclopentylmethylsulfanyl)quinolin-3-yl]methanol
CID 63835635

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide (CID 43814195) is N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide is CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide?
The InChIKey is QEGQWUQLXPVSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2S/c1-17(28)19-10-6-11-22(15-19)26-24(29)16-30-25-21(13-18-7-2-3-8-18)14-20-9-4-5-12-23(20)27-25/h4-6,9-12,14-15,18H,2-3,7-8,13,16H2,1H3,(H,26,29).
What are the key properties of N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide?
N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide has a molecular weight of 418.56 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[3-(cyclopentylmethyl)quinolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 43814195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).