N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide

C24H21NO2S — CID 19299425

IUPACN-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(CSc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21NO2S/c26-23(19-11-9-18(10-12-19)17-5-2-1-3-6-17)16-28-22-8-4-7-21(15-22)25-24(27)20-13-14-20/h1-12,15,20H,13-14,16H2,(H,25,27)
InChIKeyVJYWMQKNMCJZKP-UHFFFAOYSA-N
MW387.50 g/mol
LogP5.68
Rot. Bonds7

About N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide

N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 19299425) has the molecular formula C24H21NO2S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID19299425
Molecular FormulaC24H21NO2S
Molecular Weight387.50 g/mol
Exact Mass387.13
IUPAC NameN-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(CSc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H21NO2S/c26-23(19-11-9-18(10-12-19)17-5-2-1-3-6-17)16-28-22-8-4-7-21(15-22)25-24(27)20-13-14-20/h1-12,15,20H,13-14,16H2,(H,25,27)
InChIKeyVJYWMQKNMCJZKP-UHFFFAOYSA-N
XLogP5.68
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299409
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299420
1-(4-acetylphenyl)-3-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]thiourea
CID 19300140
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
CID 19318740
N-(3-phenacylsulfanylphenyl)acetamide
CID 19299397
4-methyl-N-(3-phenacylsulfanylphenyl)benzamide
CID 19299775
N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
CID 19299885
4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 18907682
N-[3-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 18899084
ethyl 4-[[2-[3-(cyclopropanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate
CID 18901321
1-[3-[2-(4-fluorophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylthiourea
CID 19300075
N-[(Z)-1-naphthalen-1-yl-3-oxo-3-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19301496

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide (CID 19299425) is N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide is O=C(CSc1cccc(NC(=O)C2CC2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is VJYWMQKNMCJZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2S/c26-23(19-11-9-18(10-12-19)17-5-2-1-3-6-17)16-28-22-8-4-7-21(15-22)25-24(27)20-13-14-20/h1-12,15,20H,13-14,16H2,(H,25,27).
What are the key properties of N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide?
N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 387.50 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 19299425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).