N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide

C18H17ClN4O2S — CID 17462773

IUPACN-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ncccc2c1=O
InChIInChI=1S/C18H17ClN4O2S/c1-2-23-17(25)14-4-3-9-20-16(14)22-18(23)26-11-15(24)21-10-12-5-7-13(19)8-6-12/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyVMWNXRCKTRJQOK-UHFFFAOYSA-N
MW388.88 g/mol
LogP2.87
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide

N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide (PubChem CID 17462773) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
PubChem CID17462773
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ncccc2c1=O
InChIInChI=1S/C18H17ClN4O2S/c1-2-23-17(25)14-4-3-9-20-16(14)22-18(23)26-11-15(24)21-10-12-5-7-13(19)8-6-12/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyVMWNXRCKTRJQOK-UHFFFAOYSA-N
XLogP2.87
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 17442753
2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 38835366
N-ethyl-2-[3-(2-methoxyethyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]sulfanylacetamide
CID 38836757
N-(2-ethyl-6-methylphenyl)-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide
CID 38835357
N-[(4-chlorophenyl)methyl]-2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanylacetamide
CID 46324939
3-(3-benzyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 23602521
2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 40948197
4-[[2-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]methyl]-N-propan-2-ylbenzamide
CID 46351136
N-benzyl-2-[3-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3482548
N-[(4-chlorophenyl)methyl]-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925689
N-[(4-chlorophenyl)methyl]-2-[4-hydroxy-1-(2-methylpropyl)-6-oxopyrimidin-2-yl]sulfanylacetamide
CID 135893035
N-[(4-chlorophenyl)methyl]-2-(1-hexylbenzimidazol-2-yl)sulfanylacetamide
CID 7173108

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide (CID 17462773) is N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide is CCn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ncccc2c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
The InChIKey is VMWNXRCKTRJQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-2-23-17(25)14-4-3-9-20-16(14)22-18(23)26-11-15(24)21-10-12-5-7-13(19)8-6-12/h3-9H,2,10-11H2,1H3,(H,21,24).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide?
N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide has a molecular weight of 388.88 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3-ethyl-4-oxopyrido[2,3-d]pyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 17462773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).