N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C19H20N4O3S — CID 46692785

IUPACN-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCn1c(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H20N4O3S/c1-3-22-17-7-5-4-6-15(17)20-19(22)21-18(24)14-8-9-16-13(12-14)10-11-23(16)27(2,25)26/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,24)
InChIKeyNGXKTVHBAQGETI-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.63
Rot. Bonds4

About N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46692785) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID46692785
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCn1c(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H20N4O3S/c1-3-22-17-7-5-4-6-15(17)20-19(22)21-18(24)14-8-9-16-13(12-14)10-11-23(16)27(2,25)26/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,24)
InChIKeyNGXKTVHBAQGETI-UHFFFAOYSA-N
XLogP2.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 46692785) is N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCn1c(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is NGXKTVHBAQGETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-3-22-17-7-5-4-6-15(17)20-19(22)21-18(24)14-8-9-16-13(12-14)10-11-23(16)27(2,25)26/h4-9,12H,3,10-11H2,1-2H3,(H,20,21,24).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46692785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).