N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C20H24N2O5S — CID 55595616

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-13(14-6-8-18(26-2)19(12-14)27-3)21-20(23)16-5-7-17-15(11-16)9-10-22(17)28(4,24)25/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)
InChIKeyOHTJVZYEQRAUHV-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.52
Rot. Bonds6

About N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 55595616) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID55595616
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1OC
InChIInChI=1S/C20H24N2O5S/c1-13(14-6-8-18(26-2)19(12-14)27-3)21-20(23)16-5-7-17-15(11-16)9-10-22(17)28(4,24)25/h5-8,11-13H,9-10H2,1-4H3,(H,21,23)
InChIKeyOHTJVZYEQRAUHV-UHFFFAOYSA-N
XLogP2.52
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 55385615
N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
N-[(1S)-1-(4-chlorophenyl)propyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40811861
N-(5-bromo-2-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55905643
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 43073936
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
3,4-dimethoxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 11838951
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 28544124

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 55595616) is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COc1ccc(C(C)NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is OHTJVZYEQRAUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-13(14-6-8-18(26-2)19(12-14)27-3)21-20(23)16-5-7-17-15(11-16)9-10-22(17)28(4,24)25/h5-8,11-13H,9-10H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 55595616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).