N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

C14H14ClN3O3S — CID 17408562

IUPACN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c15-10-1-3-11(4-2-10)22-8-6-16-13(20)9-18-7-5-12(19)17-14(18)21/h1-5,7H,6,8-9H2,(H,16,20)(H,17,19,21)
InChIKeyJYXYPTDTUMJVCM-UHFFFAOYSA-N
MW339.80 g/mol
LogP1.10
Rot. Bonds6

About N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide

N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 17408562) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID17408562
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
SMILESO=C(Cn1ccc(=O)[nH]c1=O)NCCSc1ccc(Cl)cc1
InChIInChI=1S/C14H14ClN3O3S/c15-10-1-3-11(4-2-10)22-8-6-16-13(20)9-18-7-5-12(19)17-14(18)21/h1-5,7H,6,8-9H2,(H,16,20)(H,17,19,21)
InChIKeyJYXYPTDTUMJVCM-UHFFFAOYSA-N
XLogP1.10
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-[2-(3-hydroxypropylsulfanyl)ethyl]acetamide
CID 103767757
2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
2-(2,4-dioxopyrimidin-1-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 9490208
N-(2-chloroprop-2-enyl)-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 115636712
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 9456600
2-(2,4-dioxopyrimidin-1-yl)-N-[(2S)-2-hydroxypropyl]acetamide
CID 83030551
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119691382
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetamide
CID 47094363
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2-methoxyethoxy)acetamide
CID 78808707
4-chloro-2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-propylbenzamide
CID 55993622
N-[2-(4-chlorophenyl)sulfanylethyl]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetamide
CID 45281605
N-[2-(4-chlorophenyl)sulfanylethyl]-2-naphthalen-2-ylsulfanylacetamide
CID 7630379

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide (CID 17408562) is N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is O=C(Cn1ccc(=O)[nH]c1=O)NCCSc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is JYXYPTDTUMJVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c15-10-1-3-11(4-2-10)22-8-6-16-13(20)9-18-7-5-12(19)17-14(18)21/h1-5,7H,6,8-9H2,(H,16,20)(H,17,19,21).
What are the key properties of N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide?
N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 339.80 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)sulfanylethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 17408562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).