3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide

C19H20N2O2S — CID 31444384

IUPAC3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H20N2O2S/c22-18(20-11-12-24-17-7-2-1-3-8-17)15-5-4-6-16(13-15)21-19(23)14-9-10-14/h1-8,13-14H,9-12H2,(H,20,22)(H,21,23)
InChIKeyHFOBALVJIDUUTN-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.56
Rot. Bonds7

About 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide

3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide (PubChem CID 31444384) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
PubChem CID31444384
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
SMILESO=C(NCCSc1ccccc1)c1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H20N2O2S/c22-18(20-11-12-24-17-7-2-1-3-8-17)15-5-4-6-16(13-15)21-19(23)14-9-10-14/h1-8,13-14H,9-12H2,(H,20,22)(H,21,23)
InChIKeyHFOBALVJIDUUTN-UHFFFAOYSA-N
XLogP3.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide?
The IUPAC name of 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide (CID 31444384) is 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide.
What is the SMILES notation for 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide?
The canonical SMILES for 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide is O=C(NCCSc1ccccc1)c1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide?
The InChIKey is HFOBALVJIDUUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c22-18(20-11-12-24-17-7-2-1-3-8-17)15-5-4-6-16(13-15)21-19(23)14-9-10-14/h1-8,13-14H,9-12H2,(H,20,22)(H,21,23).
What are the key properties of 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide?
3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide is sourced from PubChem (CID 31444384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).