N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide

C24H20N2O2S — CID 19299885

IUPACN-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(SCC(=O)n2c3ccccc3c3ccccc32)c1)C1CC1
InChIInChI=1S/C24H20N2O2S/c27-23(15-29-18-7-5-6-17(14-18)25-24(28)16-12-13-16)26-21-10-3-1-8-19(21)20-9-2-4-11-22(20)26/h1-11,14,16H,12-13,15H2,(H,25,28)
InChIKeyBDGGPJVYDRSAAM-UHFFFAOYSA-N
MW400.50 g/mol
LogP5.58
Rot. Bonds5

About N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide

N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide (PubChem CID 19299885) has the molecular formula C24H20N2O2S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
PubChem CID19299885
Molecular FormulaC24H20N2O2S
Molecular Weight400.50 g/mol
Exact Mass400.12
IUPAC NameN-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cccc(SCC(=O)n2c3ccccc3c3ccccc32)c1)C1CC1
InChIInChI=1S/C24H20N2O2S/c27-23(15-29-18-7-5-6-17(14-18)25-24(28)16-12-13-16)26-21-10-3-1-8-19(21)20-9-2-4-11-22(20)26/h1-11,14,16H,12-13,15H2,(H,25,28)
InChIKeyBDGGPJVYDRSAAM-UHFFFAOYSA-N
XLogP5.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.50
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299409
N-[3-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299425
N-[3-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]phenyl]cyclopropanecarboxamide
CID 19318740
6-[[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 18894896
N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22782010
N-[3-[2-(3-methoxyphenyl)-2-oxoethyl]sulfanylphenyl]cyclopropanecarboxamide
CID 19299420
N-[(E)-3-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylanilino]-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 19300897
4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 19299956
2-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 19299949
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
4-[[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 18907682

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide (CID 19299885) is N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide is O=C(Nc1cccc(SCC(=O)n2c3ccccc3c3ccccc32)c1)C1CC1.
What is the InChIKey of N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
The InChIKey is BDGGPJVYDRSAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2S/c27-23(15-29-18-7-5-6-17(14-18)25-24(28)16-12-13-16)26-21-10-3-1-8-19(21)20-9-2-4-11-22(20)26/h1-11,14,16H,12-13,15H2,(H,25,28).
What are the key properties of N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide?
N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide has a molecular weight of 400.50 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]cyclopropanecarboxamide is sourced from PubChem (CID 19299885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).