(2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide

C18H21N3O3S — CID 136833783

IUPAC(2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide
SMILESCC[C@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H21N3O3S/c1-3-15(17(23)19-13-8-4-5-10-14(13)24-2)25-18-20-12-9-6-7-11(12)16(22)21-18/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,19,23)(H,20,21,22)/t15-/m0/s1
InChIKeyCMHKSTKRJHZEIY-HNNXBMFYSA-N
MW359.45 g/mol
LogP2.78
Rot. Bonds6

About (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide

(2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide (PubChem CID 136833783) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide
PubChem CID136833783
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name(2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide
SMILESCC[C@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H21N3O3S/c1-3-15(17(23)19-13-8-4-5-10-14(13)24-2)25-18-20-12-9-6-7-11(12)16(22)21-18/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,19,23)(H,20,21,22)/t15-/m0/s1
InChIKeyCMHKSTKRJHZEIY-HNNXBMFYSA-N
XLogP2.78
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 136685359
N-(4-fluorophenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685361
N-(2,5-dimethylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685411
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide
CID 136684204
2-[(4-butyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-methoxyphenyl)butanamide
CID 136685258
N-(2,3-dimethylphenyl)-2-[(4-oxo-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-2-yl)sulfanyl]butanamide
CID 136683967
N-(2-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanamide
CID 136685747
N-cyclohexyl-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide
CID 135530952
N-(3-chloro-4-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 136685408
1-(2-methoxyphenyl)-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)guanidine
CID 135645184
N-(2-chlorophenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 135590126
N-(2-ethylphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135522125

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide?
The IUPAC name of (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide (CID 136833783) is (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide.
What is the SMILES notation for (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide?
The canonical SMILES for (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide is CC[C@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1ccccc1OC.
What is the InChIKey of (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide?
The InChIKey is CMHKSTKRJHZEIY-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-3-15(17(23)19-13-8-4-5-10-14(13)24-2)25-18-20-12-9-6-7-11(12)16(22)21-18/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,19,23)(H,20,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide?
(2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide has a molecular weight of 359.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxyphenyl)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]butanamide is sourced from PubChem (CID 136833783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).