2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

C19H17N3OS — CID 32979211

IUPAC2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESN#CCSc1ccccc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3OS/c20-10-12-24-18-8-4-2-6-16(18)19(23)21-11-9-14-13-22-17-7-3-1-5-15(14)17/h1-8,13,22H,9,11-12H2,(H,21,23)
InChIKeyVUXMPPBYERTLSY-UHFFFAOYSA-N
MW335.43 g/mol
LogP3.76
Rot. Bonds6

About 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide

2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (PubChem CID 32979211) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
PubChem CID32979211
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
SMILESN#CCSc1ccccc1C(=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C19H17N3OS/c20-10-12-24-18-8-4-2-6-16(18)19(23)21-11-9-14-13-22-17-7-3-1-5-15(14)17/h1-8,13,22H,9,11-12H2,(H,21,23)
InChIKeyVUXMPPBYERTLSY-UHFFFAOYSA-N
XLogP3.76
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzamide
CID 4780392
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
1-(cyanomethyl)-3-[2-(1H-indol-3-yl)ethyl]urea
CID 108864863
2,3-dichloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645249
2-(2-fluoroanilino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 162373909
3-(cyanomethyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 82179549
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-1H-pyrrole-3-carboxamide
CID 110695717
4-[[2-(cyanomethylsulfanyl)benzoyl]amino]butanoic acid
CID 43354952
N-[2-(1H-indol-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 51210971
N-[2-(1H-indol-3-yl)ethyl]-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 118711596
N-[2-(1H-indol-3-yl)ethyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766157
3-bromo-2-(bromomethyl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 100943042

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide (CID 32979211) is 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is N#CCSc1ccccc1C(=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
The InChIKey is VUXMPPBYERTLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c20-10-12-24-18-8-4-2-6-16(18)19(23)21-11-9-14-13-22-17-7-3-1-5-15(14)17/h1-8,13,22H,9,11-12H2,(H,21,23).
What are the key properties of 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide?
2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide has a molecular weight of 335.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 32979211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).