N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C19H22N2O5S — CID 55583046

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1OC
InChIInChI=1S/C19H22N2O5S/c1-25-17-6-4-5-15(18(17)26-2)12-20-19(22)14-7-8-16-13(11-14)9-10-21(16)27(3,23)24/h4-8,11H,9-10,12H2,1-3H3,(H,20,22)
InChIKeyFUUQMQUVDRLZMK-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.96
Rot. Bonds6

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

N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55583046) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55583046
Molecular FormulaC19H22N2O5S
Molecular Weight390.46 g/mol
Exact Mass390.12
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1OC
InChIInChI=1S/C19H22N2O5S/c1-25-17-6-4-5-15(18(17)26-2)12-20-19(22)14-7-8-16-13(11-14)9-10-21(16)27(3,23)24/h4-8,11H,9-10,12H2,1-3H3,(H,20,22)
InChIKeyFUUQMQUVDRLZMK-UHFFFAOYSA-N
XLogP1.96
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-[[2-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 46600123
N-[2-(2-methoxyphenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 27757054
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 9143473
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55710130
N-[2-(2-methylpropanoylamino)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43012689
1-(4-chlorophenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765259
1-methylsulfonyl-N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 55903614
N-[(2,3-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 55583363
N-[3-(2-methoxyethoxy)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55407812
N-(1,3-benzodioxol-5-ylmethyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 5295612
2-methyl-5-[[(1-methylsulfonyl-2,3-dihydroindole-5-carbonyl)amino]methyl]furan-3-carboxylic acid
CID 122146239
1-methylsulfonyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 9463690

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55583046) is N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COc1cccc(CNC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is FUUQMQUVDRLZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-25-17-6-4-5-15(18(17)26-2)12-20-19(22)14-7-8-16-13(11-14)9-10-21(16)27(3,23)24/h4-8,11H,9-10,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55583046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).