N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide

C14H17N3O2S — CID 1249199

IUPACN-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSCc1cc(=O)[nH][nH]1
InChIInChI=1S/C14H17N3O2S/c1-2-10-5-3-4-6-12(10)15-14(19)9-20-8-11-7-13(18)17-16-11/h3-7H,2,8-9H2,1H3,(H,15,19)(H2,16,17,18)
InChIKeyHVWZCSJOPOEDPO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.14
Rot. Bonds6

About N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide

N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide (PubChem CID 1249199) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide
PubChem CID1249199
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide
SMILESCCc1ccccc1NC(=O)CSCc1cc(=O)[nH][nH]1
InChIInChI=1S/C14H17N3O2S/c1-2-10-5-3-4-6-12(10)15-14(19)9-20-8-11-7-13(18)17-16-11/h3-7H,2,8-9H2,1H3,(H,15,19)(H2,16,17,18)
InChIKeyHVWZCSJOPOEDPO-UHFFFAOYSA-N
XLogP2.14
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 8839292
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N-(2-ethylphenyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]acetamide
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4-[2-(2-ethylanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)butanamide
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CID 62535151
N-(2-ethylphenyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 9034330
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-ethylphenyl)acetamide
CID 40663485
2-[(5,6-diethyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6411103
2-[2-[[2-(3-methylbutylsulfanyl)acetyl]amino]phenyl]acetic acid
CID 119218364

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide (CID 1249199) is N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide is CCc1ccccc1NC(=O)CSCc1cc(=O)[nH][nH]1.
What is the InChIKey of N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is HVWZCSJOPOEDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-2-10-5-3-4-6-12(10)15-14(19)9-20-8-11-7-13(18)17-16-11/h3-7H,2,8-9H2,1H3,(H,15,19)(H2,16,17,18).
What are the key properties of N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide?
N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[(5-oxo-1,2-dihydropyrazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 1249199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).