N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide

C31H26N2O2S — CID 23099110

IUPACN-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(SCC(=O)n2c3c(c4ccccc42)CCCC3)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H26N2O2S/c34-30(33-28-11-5-3-9-26(28)27-10-4-6-12-29(27)33)20-36-25-17-15-24(16-18-25)32-31(35)23-14-13-21-7-1-2-8-22(21)19-23/h1-3,5,7-9,11,13-19H,4,6,10,12,20H2,(H,32,35)
InChIKeyQBBSYGPVLGRYSS-UHFFFAOYSA-N
MW490.63 g/mol
LogP7.36
Rot. Bonds5

About N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide

N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide (PubChem CID 23099110) has the molecular formula C31H26N2O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide
PubChem CID23099110
Molecular FormulaC31H26N2O2S
Molecular Weight490.63 g/mol
Exact Mass490.17
IUPAC NameN-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(SCC(=O)n2c3c(c4ccccc42)CCCC3)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C31H26N2O2S/c34-30(33-28-11-5-3-9-26(28)27-10-4-6-12-29(27)33)20-36-25-17-15-24(16-18-25)32-31(35)23-14-13-21-7-1-2-8-22(21)19-23/h1-3,5,7-9,11,13-19H,4,6,10,12,20H2,(H,32,35)
InChIKeyQBBSYGPVLGRYSS-UHFFFAOYSA-N
XLogP7.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 23095207
3-methoxy-N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 23096667
N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]cyclohexanecarboxamide
CID 22782010
4-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 19299956
N-[(Z)-3-oxo-3-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylanilino]-1-phenylprop-1-en-2-yl]benzamide
CID 22193235
2-fluoro-N-[3-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]benzamide
CID 19299949
N-[(Z)-1-(2-methylphenyl)-3-oxo-3-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22193438
N-[(Z)-3-oxo-3-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylanilino]-1-(4-phenylphenyl)prop-1-en-2-yl]benzamide
CID 22193424
N-[(Z)-1-(4-fluorophenyl)-3-oxo-3-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 22193375
N-[4-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 23101433
N-[4-(2-carbazol-9-yl-2-oxoethyl)sulfanylphenyl]-4-fluorobenzamide
CID 22783049
N-[(Z)-3-oxo-3-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylanilino]-1-(2,4,5-trimethoxyphenyl)prop-1-en-2-yl]benzamide
CID 22193459

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide (CID 23099110) is N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(SCC(=O)n2c3c(c4ccccc42)CCCC3)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide?
The InChIKey is QBBSYGPVLGRYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2S/c34-30(33-28-11-5-3-9-26(28)27-10-4-6-12-29(27)33)20-36-25-17-15-24(16-18-25)32-31(35)23-14-13-21-7-1-2-8-22(21)19-23/h1-3,5,7-9,11,13-19H,4,6,10,12,20H2,(H,32,35).
What are the key properties of N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide?
N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide has a molecular weight of 490.63 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethyl]sulfanylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 23099110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).