N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide

C18H16ClNO2S — CID 19299409

IUPACN-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(CSc1cccc(NC(=O)C2CC2)c1)c1ccccc1Cl
InChIInChI=1S/C18H16ClNO2S/c19-16-7-2-1-6-15(16)17(21)11-23-14-5-3-4-13(10-14)20-18(22)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,20,22)
InChIKeyNBPIFDHZBQEREE-UHFFFAOYSA-N
MW345.85 g/mol
LogP4.66
Rot. Bonds6

About N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide

N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 19299409) has the molecular formula C18H16ClNO2S and a molecular weight of 345.85 g/mol. Its IUPAC name is N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
PubChem CID19299409
Molecular FormulaC18H16ClNO2S
Molecular Weight345.85 g/mol
Exact Mass345.06
IUPAC NameN-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(CSc1cccc(NC(=O)C2CC2)c1)c1ccccc1Cl
InChIInChI=1S/C18H16ClNO2S/c19-16-7-2-1-6-15(16)17(21)11-23-14-5-3-4-13(10-14)20-18(22)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,20,22)
InChIKeyNBPIFDHZBQEREE-UHFFFAOYSA-N
XLogP4.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299425
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]pentanamide
CID 19299517
N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
CID 19299885
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299420
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907642
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
CID 19318740
N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]acetamide
CID 19299392
N-[4-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22777720
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
(E)-N-[3-[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 19299446
4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 18907682

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide (CID 19299409) is N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide is O=C(CSc1cccc(NC(=O)C2CC2)c1)c1ccccc1Cl.
What is the InChIKey of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is NBPIFDHZBQEREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2S/c19-16-7-2-1-6-15(16)17(21)11-23-14-5-3-4-13(10-14)20-18(22)12-8-9-12/h1-7,10,12H,8-9,11H2,(H,20,22).
What are the key properties of N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide?
N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 345.85 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 19299409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).