(2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C18H18ClN3O2S — CID 7730518

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCc1cc2c(=O)n([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)cnc2s1
InChIInChI=1S/C18H18ClN3O2S/c1-4-13-8-14-17(25-13)20-9-22(18(14)24)11(3)16(23)21-15-7-12(19)6-5-10(15)2/h5-9,11H,4H2,1-3H3,(H,21,23)/t11-/m0/s1
InChIKeyCTRWVTVADXLUOU-NSHDSACASA-N
MW375.88 g/mol
LogP4.18
Rot. Bonds4

About (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 7730518) has the molecular formula C18H18ClN3O2S and a molecular weight of 375.88 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID7730518
Molecular FormulaC18H18ClN3O2S
Molecular Weight375.88 g/mol
Exact Mass375.08
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCCc1cc2c(=O)n([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)cnc2s1
InChIInChI=1S/C18H18ClN3O2S/c1-4-13-8-14-17(25-13)20-9-22(18(14)24)11(3)16(23)21-15-7-12(19)6-5-10(15)2/h5-9,11H,4H2,1-3H3,(H,21,23)/t11-/m0/s1
InChIKeyCTRWVTVADXLUOU-NSHDSACASA-N
XLogP4.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 44639367
(2R)-N-(2-chlorophenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730262
(2S)-N-(2-ethoxyphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7729683
N-(5-chloro-2-methylphenyl)-2-[5-(3,4-dimethylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 44639372
(2S)-N-(5-chloro-2-methylphenyl)-2-[3-(4-chlorophenyl)-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl]propanamide
CID 92874940
3-[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl]-5-methyl-N-(2-methylphenyl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 40858938
N-(5-chloro-2-methylphenyl)-2-[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]propanamide
CID 44639371
3-[2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl-methylamino]propanoic acid
CID 82032549
(2S)-N-(4-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7708724
(2R)-N-(2-chlorophenyl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)propanamide
CID 7730268
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-oxo-6-phenylthieno[2,3-d]triazin-3-yl)propanamide
CID 40776195
N-(5-chloro-2-methoxyphenyl)-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
CID 16805570

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 7730518) is (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CCc1cc2c(=O)n([C@@H](C)C(=O)Nc3cc(Cl)ccc3C)cnc2s1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is CTRWVTVADXLUOU-NSHDSACASA-N. The full InChI is InChI=1S/C18H18ClN3O2S/c1-4-13-8-14-17(25-13)20-9-22(18(14)24)11(3)16(23)21-15-7-12(19)6-5-10(15)2/h5-9,11H,4H2,1-3H3,(H,21,23)/t11-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 375.88 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methylphenyl)-2-(6-ethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 7730518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).