N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C24H28N2O4S — CID 31441418

IUPACN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C24H28N2O4S/c1-4-5-9-23-20(19-8-6-7-10-22(19)30-23)16-25(2)24(27)18-11-12-21-17(15-18)13-14-26(21)31(3,28)29/h6-8,10-12,15H,4-5,9,13-14,16H2,1-3H3
InChIKeyOAEGUBFNQOJWNR-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.37
Rot. Bonds7

About N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 31441418) has the molecular formula C24H28N2O4S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID31441418
Molecular FormulaC24H28N2O4S
Molecular Weight440.57 g/mol
Exact Mass440.18
IUPAC NameN-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
InChIInChI=1S/C24H28N2O4S/c1-4-5-9-23-20(19-8-6-7-10-22(19)30-23)16-25(2)24(27)18-11-12-21-17(15-18)13-14-26(21)31(3,28)29/h6-8,10-12,15H,4-5,9,13-14,16H2,1-3H3
InChIKeyOAEGUBFNQOJWNR-UHFFFAOYSA-N
XLogP4.37
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(dimethylamino)phenyl](2-{2-[(2R)-2-methyl-1-pyrrolidinyl]ethyl}-1-benzofuran-5-yl)methanone
CID 10110088
5-(4-fluorophenyl)-N-methyl-16-methylsulfonyl-4-oxa-16-azatricyclo[7.7.0.03,7]hexadeca-1,3(7),5,8-tetraene-6-carboxamide
CID 57330298
2-(4-fluorophenyl)-N-methyl-7-methylsulfonyl-5,6-dihydrofuro[3,2-f]indole-3-carboxamide
CID 70800558
N-(4-ethoxyphenyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 1085725
(3R,4R)-4-(1-benzofuran-2-yl)-N-[[4-(dimethylamino)phenyl]methyl]pyrrolidine-3-carboxamide
CID 155540408
N-[(3S,4R)-4-(1-benzofuran-2-yl)pyrrolidin-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 162671924
6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-[(3S)-3-fluoropyrrolidine-1-carbonyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 122503984
6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-[2-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]-1-benzofuran-3-carboxamide
CID 122503985
6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-5-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]phenyl]-N-methyl-1-benzofuran-3-carboxamide
CID 122503986
6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)phenyl]-1-benzofuran-3-carboxamide
CID 122503988
6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-[3-(2-methylpyrrolidine-1-carbonyl)phenyl]-1-benzofuran-3-carboxamide
CID 134225997
5-[3-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]phenyl]-6-[2-fluoroethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 134226140

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 31441418) is N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is CCCCc1oc2ccccc2c1CN(C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O.
What is the InChIKey of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is OAEGUBFNQOJWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4S/c1-4-5-9-23-20(19-8-6-7-10-22(19)30-23)16-25(2)24(27)18-11-12-21-17(15-18)13-14-26(21)31(3,28)29/h6-8,10-12,15H,4-5,9,13-14,16H2,1-3H3.
What are the key properties of N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 440.57 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-1-benzofuran-3-yl)methyl]-N-methyl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 31441418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).