N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide

C14H16N2OS — CID 75423925

IUPACN-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide
SMILESC=CCSCCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2OS/c1-2-9-18-10-8-16-14(17)12-4-3-5-13-11(12)6-7-15-13/h2-7,15H,1,8-10H2,(H,16,17)
InChIKeyXADYGYVWNVWYRH-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.82
Rot. Bonds6

About N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide

N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide (PubChem CID 75423925) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide
PubChem CID75423925
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide
SMILESC=CCSCCNC(=O)c1cccc2[nH]ccc12
InChIInChI=1S/C14H16N2OS/c1-2-9-18-10-8-16-14(17)12-4-3-5-13-11(12)6-7-15-13/h2-7,15H,1,8-10H2,(H,16,17)
InChIKeyXADYGYVWNVWYRH-UHFFFAOYSA-N
XLogP2.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methylamino)-N-(2-prop-2-enylsulfanylethyl)benzamide
CID 106430283
N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
CID 43596537
1H-indole-4-carbohydrazide
CID 43316644
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200
N-(2-thiophen-3-ylethyl)-1H-indole-4-carboxamide
CID 60863712
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
1-(1H-indol-4-yl)prop-2-en-1-one
CID 13333007
2-bromo-N-(2-prop-2-enylsulfanylethyl)furan-3-carboxamide
CID 106898564
N-(3-methyl-2-propan-2-ylbutyl)-1H-indole-4-carboxamide
CID 102907617

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide (CID 75423925) is N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide is C=CCSCCNC(=O)c1cccc2[nH]ccc12.
What is the InChIKey of N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide?
The InChIKey is XADYGYVWNVWYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-2-9-18-10-8-16-14(17)12-4-3-5-13-11(12)6-7-15-13/h2-7,15H,1,8-10H2,(H,16,17).
What are the key properties of N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide?
N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 75423925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).