N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide

C20H24N2O3S — CID 109061427

IUPACN-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-4-14-21(2)20(23)17-9-11-18(12-10-17)26(24,25)22-15-13-16-7-5-6-8-19(16)22/h5-12H,3-4,13-15H2,1-2H3
InChIKeyXDMCUSVPMNVTTQ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.31
Rot. Bonds6

About N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide

N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide (PubChem CID 109061427) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide.

Molecular Properties

Compound NameN-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
PubChem CID109061427
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O3S/c1-3-4-14-21(2)20(23)17-9-11-18(12-10-17)26(24,25)22-15-13-16-7-5-6-8-19(16)22/h5-12H,3-4,13-15H2,1-2H3
InChIKeyXDMCUSVPMNVTTQ-UHFFFAOYSA-N
XLogP3.31
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
N,N-dibenzyl-4-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 4128008
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
N-butyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxy-N-methylbenzamide
CID 27702630
1,3-bis[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-1,3-diethylurea
CID 17139329
N-butyl-N-methyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973673
2-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]-N-pentylacetamide
CID 5114863
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 17394971
4-[butyl(methyl)carbamoyl]benzenesulfonyl chloride
CID 18071644
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 1169483

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The IUPAC name of N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide (CID 109061427) is N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide.
What is the SMILES notation for N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The canonical SMILES for N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
The InChIKey is XDMCUSVPMNVTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-3-4-14-21(2)20(23)17-9-11-18(12-10-17)26(24,25)22-15-13-16-7-5-6-8-19(16)22/h5-12H,3-4,13-15H2,1-2H3.
What are the key properties of N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide?
N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide has a molecular weight of 372.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzamide is sourced from PubChem (CID 109061427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).