N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

C17H18N2OS — CID 60927886

IUPACN-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18N2OS/c1-2-21-16-6-4-3-5-15(16)19-17(20)13-7-8-14-12(11-13)9-10-18-14/h3-8,11,18H,2,9-10H2,1H3,(H,19,20)
InChIKeySNARZCKGDWZPFF-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.02
Rot. Bonds4

About N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 60927886) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID60927886
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC NameN-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESCCSc1ccccc1NC(=O)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H18N2OS/c1-2-21-16-6-4-3-5-15(16)19-17(20)13-7-8-14-12(11-13)9-10-18-14/h3-8,11,18H,2,9-10H2,1H3,(H,19,20)
InChIKeySNARZCKGDWZPFF-UHFFFAOYSA-N
XLogP4.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325607
N-(2-chlorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325613
N-(3-bromo-2-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938285
N-(2-chloro-3-pyridinyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43704526
N-(1H-indazol-7-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43712758
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-(5-chloro-2-fluorophenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43438489
N-pyrimidin-2-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142516
N-(2-ethyl-6-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43325541
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325547
N-(2,5-dichloro-4-methylphenyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104727171
N-ethoxy-2,3-dihydro-1H-indole-5-carboxamide
CID 64974739

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 60927886) is N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is CCSc1ccccc1NC(=O)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is SNARZCKGDWZPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-2-21-16-6-4-3-5-15(16)19-17(20)13-7-8-14-12(11-13)9-10-18-14/h3-8,11,18H,2,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 60927886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).