4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

C20H22N2O2S — CID 46475446

IUPAC4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-14-2-10-18(11-3-14)25-13-12-21-19(23)15-6-8-17(9-7-15)22-20(24)16-4-5-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHQPXNJQGJYNZAZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP3.87
Rot. Bonds7

About 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide

4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (PubChem CID 46475446) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
PubChem CID46475446
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide
SMILESCc1ccc(SCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C20H22N2O2S/c1-14-2-10-18(11-3-14)25-13-12-21-19(23)15-6-8-17(9-7-15)22-20(24)16-4-5-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,23)(H,22,24)
InChIKeyHQPXNJQGJYNZAZ-UHFFFAOYSA-N
XLogP3.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.87
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

3-(cyclopropanecarbonylamino)-N-(2-phenylsulfanylethyl)benzamide
CID 31444384
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-(cyclohexanecarbonylamino)-N-propylbenzamide
CID 17218748
N-[2-(4-methylphenyl)sulfanylethyl]-4-(methylsulfamoyl)benzamide
CID 51219213
N-[4-[2-(cyclopropanecarbonylamino)ethylcarbamoyl]phenyl]-2-(4-methylbenzoyl)benzamide
CID 121062466
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
4-(cyclopropanecarbonylamino)-N-[3-(1-phenylethoxy)propyl]benzamide
CID 24658372
4-tert-butyl-N-[2-[4-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 26058928
4-N-(4-methylphenyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148158
4-(cyclopropanecarbonylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 33279074
N-[2-(4-methylphenyl)sulfanylethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 92675752
2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
CID 110015113

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide (CID 46475446) is 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is Cc1ccc(SCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
The InChIKey is HQPXNJQGJYNZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14-2-10-18(11-3-14)25-13-12-21-19(23)15-6-8-17(9-7-15)22-20(24)16-4-5-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide has a molecular weight of 354.48 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[2-(4-methylphenyl)sulfanylethyl]benzamide is sourced from PubChem (CID 46475446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).