N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide

C27H21N3OS — CID 154020217

IUPACN-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(c1)C1=CC(/C=C/c3ccccn3)=CCC1=N2
InChIInChI=1S/C27H21N3OS/c1-28-27(31)21-7-2-3-8-26(21)32-20-12-14-25-23(17-20)22-16-18(10-13-24(22)30-25)9-11-19-6-4-5-15-29-19/h2-12,14-17H,13H2,1H3,(H,28,31)/b11-9+
InChIKeyGZBDRUMKCGORDX-PKNBQFBNSA-N
MW435.55 g/mol
LogP6.11
Rot. Bonds5

About N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide

N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide (PubChem CID 154020217) has the molecular formula C27H21N3OS and a molecular weight of 435.55 g/mol. Its IUPAC name is N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide.

Molecular Properties

Compound NameN-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide
PubChem CID154020217
Molecular FormulaC27H21N3OS
Molecular Weight435.55 g/mol
Exact Mass435.14
IUPAC NameN-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide
SMILESCNC(=O)c1ccccc1Sc1ccc2c(c1)C1=CC(/C=C/c3ccccn3)=CCC1=N2
InChIInChI=1S/C27H21N3OS/c1-28-27(31)21-7-2-3-8-26(21)32-20-12-14-25-23(17-20)22-16-18(10-13-24(22)30-25)9-11-19-6-4-5-15-29-19/h2-12,14-17H,13H2,1H3,(H,28,31)/b11-9+
InChIKeyGZBDRUMKCGORDX-PKNBQFBNSA-N
XLogP6.11
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.55
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[[3-[(Z)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide;N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 162040435
2-[1-formyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-yl]sulfanyl-N-methylbenzamide
CID 169440748
N-methyl-2-[3-methyl-4-[(E)-3-pyridin-2-ylprop-2-enimidoyl]phenyl]sulfanylbenzamide
CID 122677689
N-methyl-2-[1-(oxan-2-yl)-3-(2-pyridin-2-ylethenyl)indazol-6-yl]sulfanylbenzamide
CID 73312181
N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-pyrazolo[4,3-b]pyridin-6-yl]sulfanyl]benzamide
CID 175999656
2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]-N-(trideuterio(113C)methyl)benzamide
CID 131871370
N-[2-(methylamino)-2-oxoethyl]-6-[2-(methylcarbamoyl)phenyl]sulfanyl-N-propyl-3-[(E)-2-pyridin-2-ylethenyl]indazole-1-carboxamide
CID 154979395
2-methyl-N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]benzohydrazide
CID 22978101
N-[3-(methylcarbamoyl)phenyl]-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide
CID 134146122
N-(furan-2-ylmethyl)-2-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]sulfanyl]benzamide
CID 90905062
[6-[2-(methylcarbamoyl)phenyl]sulfanyl-3-[(E)-2-pyridin-2-ylethenyl]indazol-1-yl]methyl 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propanoate
CID 176838545
ethane;2-methyl-N'-[2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzoyl]benzohydrazide;molecular hydrogen
CID 142037627

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide?
The IUPAC name of N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide (CID 154020217) is N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide.
What is the SMILES notation for N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide?
The canonical SMILES for N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide is CNC(=O)c1ccccc1Sc1ccc2c(c1)C1=CC(/C=C/c3ccccn3)=CCC1=N2.
What is the InChIKey of N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide?
The InChIKey is GZBDRUMKCGORDX-PKNBQFBNSA-N. The full InChI is InChI=1S/C27H21N3OS/c1-28-27(31)21-7-2-3-8-26(21)32-20-12-14-25-23(17-20)22-16-18(10-13-24(22)30-25)9-11-19-6-4-5-15-29-19/h2-12,14-17H,13H2,1H3,(H,28,31)/b11-9+.
What are the key properties of N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide?
N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide has a molecular weight of 435.55 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[6-[(E)-2-pyridin-2-ylethenyl]-8H-carbazol-3-yl]sulfanyl]benzamide is sourced from PubChem (CID 154020217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).