N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

C14H15N3O3S — CID 30595241

IUPACN-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccnc(=O)[nH]1
InChIInChI=1S/C14H15N3O3S/c1-2-20-11-6-4-3-5-10(11)16-12(18)9-21-13-7-8-15-14(19)17-13/h3-8H,2,9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyTXHYZLNGINQDMW-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.90
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide

N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (PubChem CID 30595241) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
PubChem CID30595241
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC NameN-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
SMILESCCOc1ccccc1NC(=O)CSc1ccnc(=O)[nH]1
InChIInChI=1S/C14H15N3O3S/c1-2-20-11-6-4-3-5-10(11)16-12(18)9-21-13-7-8-15-14(19)17-13/h3-8H,2,9H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyTXHYZLNGINQDMW-UHFFFAOYSA-N
XLogP1.90
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-fluorophenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 7183852
N-(2-ethoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135466669
2-(2-chlorophenyl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 2337984
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2-ethoxyphenyl)acetamide
CID 106678992
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2-ethoxyphenyl)acetamide
CID 135495486
N-(2-ethoxyphenyl)-2-quinoxalin-2-ylsulfanylacetamide
CID 34905335
N-[2-(2-methoxyphenyl)ethyl]-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide
CID 30595396
N-(2-ethoxyphenyl)-2-[(5-oxo-6-phenyl-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135884034
N-(2-ethoxyphenyl)-2-[(3-methyl-5-oxo-2H-oxadiazol-3-ium-4-yl)sulfanyl]acetamide
CID 53291584
N-(2-ethoxyphenyl)-2-[[6-oxo-4-(phenoxymethyl)-1H-pyrimidin-2-yl]sulfanyl]acetamide
CID 136687366
N-(2-ethoxyphenyl)-2-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 135657738
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanylbenzoate
CID 3503829

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide (CID 30595241) is N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is CCOc1ccccc1NC(=O)CSc1ccnc(=O)[nH]1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
The InChIKey is TXHYZLNGINQDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-2-20-11-6-4-3-5-10(11)16-12(18)9-21-13-7-8-15-14(19)17-13/h3-8H,2,9H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide?
N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(2-oxo-1H-pyrimidin-6-yl)sulfanyl]acetamide is sourced from PubChem (CID 30595241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).