N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C19H22N2O4S — CID 9425229

IUPACN-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(OCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-3-6-17(7-4-14)25-12-10-20-19(22)16-5-8-18-15(13-16)9-11-21(18)26(2,23)24/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyVQNJERSKUJLPCK-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 9425229) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID9425229
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCc1ccc(OCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1
InChIInChI=1S/C19H22N2O4S/c1-14-3-6-17(7-4-14)25-12-10-20-19(22)16-5-8-18-15(13-16)9-11-21(18)26(2,23)24/h3-8,13H,9-12H2,1-2H3,(H,20,22)
InChIKeyVQNJERSKUJLPCK-UHFFFAOYSA-N
XLogP2.13
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
1-methylsulfonyl-N-(2-phenylsulfanylethyl)-2,3-dihydroindole-5-carboxamide
CID 26444808
N-(3-aminopropyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119406138
1-methylsulfonyl-N-(3-phenylmethoxypropyl)-2,3-dihydroindole-5-carboxamide
CID 41365829
N-[2-(cycloheptylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119619904
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 119501128
2-[2-[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242130
N-[2-(4-aminophenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 119548178
N-[2-(methylamino)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide;hydrochloride
CID 119501127
1-methylsulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46600123
N-[6-(4-methylphenoxy)-3-pyridinyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55787848

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 9425229) is N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is Cc1ccc(OCCNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is VQNJERSKUJLPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-3-6-17(7-4-14)25-12-10-20-19(22)16-5-8-18-15(13-16)9-11-21(18)26(2,23)24/h3-8,13H,9-12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 9425229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).