(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide

C19H23N3O2S — CID 42353238

IUPAC(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Sc1nc(C)nc2c1CCC2
InChIInChI=1S/C19H23N3O2S/c1-4-24-17-11-6-5-9-16(17)22-18(23)12(2)25-19-14-8-7-10-15(14)20-13(3)21-19/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyFZHNLTWKAHSIQO-LBPRGKRZSA-N
MW357.48 g/mol
LogP3.79
Rot. Bonds6

About (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide

(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide (PubChem CID 42353238) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide
PubChem CID42353238
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide
SMILESCCOc1ccccc1NC(=O)[C@H](C)Sc1nc(C)nc2c1CCC2
InChIInChI=1S/C19H23N3O2S/c1-4-24-17-11-6-5-9-16(17)22-18(23)12(2)25-19-14-8-7-10-15(14)20-13(3)21-19/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,22,23)/t12-/m0/s1
InChIKeyFZHNLTWKAHSIQO-LBPRGKRZSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxyphenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60561490
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(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
(2S)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 8985889
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CID 51280481
N-(2-ethoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46674723
ethyl 2-[2-[(2R)-1-(2-ethoxyanilino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-4-yl]acetate
CID 8546300
(2S)-N-(2-ethoxyphenyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 7575913
N-(2-ethoxyphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanamide
CID 46629614
2-[[6-amino-3,5-dicyano-4-(4-propan-2-ylphenyl)-2-pyridinyl]sulfanyl]-N-(2-ethoxyphenyl)propanamide
CID 23970597
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide (CID 42353238) is (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide is CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(C)nc2c1CCC2.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide?
The InChIKey is FZHNLTWKAHSIQO-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-24-17-11-6-5-9-16(17)22-18(23)12(2)25-19-14-8-7-10-15(14)20-13(3)21-19/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,22,23)/t12-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide?
(2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide has a molecular weight of 357.48 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)sulfanyl]propanamide is sourced from PubChem (CID 42353238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).