N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

C30H33N3O2S — CID 19299111

IUPACN-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3cccc(NC(=O)C4CCCCC4)c3)ccc21
InChIInChI=1S/C30H33N3O2S/c1-3-33-27-15-8-7-14-25(27)26-19-23(16-17-28(26)33)31-29(34)20(2)36-24-13-9-12-22(18-24)32-30(35)21-10-5-4-6-11-21/h7-9,12-21H,3-6,10-11H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyVQKTUEKWIATIBC-UHFFFAOYSA-N
MW499.68 g/mol
LogP7.45
Rot. Bonds7

About N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide

N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide (PubChem CID 19299111) has the molecular formula C30H33N3O2S and a molecular weight of 499.68 g/mol. Its IUPAC name is N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
PubChem CID19299111
Molecular FormulaC30H33N3O2S
Molecular Weight499.68 g/mol
Exact Mass499.23
IUPAC NameN-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(C)Sc3cccc(NC(=O)C4CCCCC4)c3)ccc21
InChIInChI=1S/C30H33N3O2S/c1-3-33-27-15-8-7-14-25(27)26-19-23(16-17-28(26)33)31-29(34)20(2)36-24-13-9-12-22(18-24)32-30(35)21-10-5-4-6-11-21/h7-9,12-21H,3-6,10-11H2,1-2H3,(H,31,34)(H,32,35)
InChIKeyVQKTUEKWIATIBC-UHFFFAOYSA-N
XLogP7.45
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.68
LogP ≤ 57.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-3-methylsulfanylindol-2-yl)-N-phenylacetamide
CID 555263
3-acetamido-N,N-diethyl-11-(2-fluoroethyl)-6H-thiochromeno[4,3-b]indole-6-carboxamide
CID 71579593
2-[1-benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-phenylacetamide
CID 1260556
9-Octadecenamide, N-(9-ethyl-9H-carbazol-3-yl)-, (9Z)-
CID 6437750
N-(4-fluorophenyl)-2-(1-methyl-3-phenylsulfanylindol-2-yl)acetamide
CID 1958202
N-(9-ethyl-9H-carbazol-3-yl)-1-(phenylsulfonyl)cyclopropanecarboxamide
CID 2317892
N-(9-ethylcarbazol-3-yl)-2-(4-ethylsulfonylphenyl)acetamide
CID 60243771
8-acetamido-N,N-diethyl-6,11-dihydrothiochromeno[4,3-b]indole-6-carboxamide
CID 71580968
2-(4-ethylsulfonylphenyl)-N-[1-(2-phenylethyl)indol-5-yl]acetamide
CID 76317483
2-(4-ethylsulfonylphenyl)-N-[1-[2-(4-fluorophenyl)ethyl]indol-5-yl]acetamide
CID 76317484
N-(9-ethylcarbazol-3-yl)-N'-(4-fluorophenyl)-3-methylpentanediamide
CID 145970596
2-[1-Benzyl-3-(methylsulfanyl)-1H-indol-2-yl]-N-(4-fluorophenyl)acetamide
CID 563082

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide (CID 19299111) is N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide is CCn1c2ccccc2c2cc(NC(=O)C(C)Sc3cccc(NC(=O)C4CCCCC4)c3)ccc21.
What is the InChIKey of N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?
The InChIKey is VQKTUEKWIATIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2S/c1-3-33-27-15-8-7-14-25(27)26-19-23(16-17-28(26)33)31-29(34)20(2)36-24-13-9-12-22(18-24)32-30(35)21-10-5-4-6-11-21/h7-9,12-21H,3-6,10-11H2,1-2H3,(H,31,34)(H,32,35).
What are the key properties of N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide?
N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide has a molecular weight of 499.68 g/mol, XLogP of 7.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylphenyl]cyclohexanecarboxamide is sourced from PubChem (CID 19299111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).