N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

C23H27N3O4S — CID 78873057

IUPACN,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C23H27N3O4S/c1-4-25(5-2)31(28,29)19-7-9-22-16(12-19)10-11-26(22)23(27)13-17-15-24-21-8-6-18(30-3)14-20(17)21/h6-9,12,14-15,24H,4-5,10-11,13H2,1-3H3
InChIKeyRNMLBLVRUMDYSS-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.34
Rot. Bonds7

About N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 78873057) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID78873057
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccc(OC)cc12
InChIInChI=1S/C23H27N3O4S/c1-4-25(5-2)31(28,29)19-7-9-22-16(12-19)10-11-26(22)23(27)13-17-15-24-21-8-6-18(30-3)14-20(17)21/h6-9,12,14-15,24H,4-5,10-11,13H2,1-3H3
InChIKeyRNMLBLVRUMDYSS-UHFFFAOYSA-N
XLogP3.34
TPSA82.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanone
CID 110856984
1-[2-(2,4-dimethoxyphenyl)acetyl]-N,N-diethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435162
1-[2-(1H-indol-3-yl)acetyl]-N,N-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 26769527
N,N-diethyl-1-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 134030951
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
N,N-diethyl-1-(4-methoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 46636161
N,N-diethyl-1-[2-(4-fluorophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 26765658
N,N-diethyl-1-[2-(4-methoxyphenyl)sulfanylpropanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55871446
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
1-(5-methoxy-2,3-dihydroindol-1-yl)-2-(4-methylphenyl)ethanone
CID 110714096
N,N-diethyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55633412

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide (CID 78873057) is N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Cc1c[nH]c2ccc(OC)cc12.
What is the InChIKey of N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RNMLBLVRUMDYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-4-25(5-2)31(28,29)19-7-9-22-16(12-19)10-11-26(22)23(27)13-17-15-24-21-8-6-18(30-3)14-20(17)21/h6-9,12,14-15,24H,4-5,10-11,13H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 441.55 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-(5-methoxy-1H-indol-3-yl)acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 78873057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).