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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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).