N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide

C20H26N4O5S2 — CID 55668145

IUPACN,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C20H26N4O5S2/c1-4-23(5-2)31(28,29)17-8-9-19-16(13-17)10-12-24(19)20(25)15-22(3)30(26,27)18-7-6-11-21-14-18/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3
InChIKeySCIAMDHIFQCACR-UHFFFAOYSA-N
MW466.59 g/mol
LogP1.32
Rot. Bonds8

About N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide

N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 55668145) has the molecular formula C20H26N4O5S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID55668145
Molecular FormulaC20H26N4O5S2
Molecular Weight466.59 g/mol
Exact Mass466.13
IUPAC NameN,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C20H26N4O5S2/c1-4-23(5-2)31(28,29)17-8-9-19-16(13-17)10-12-24(19)20(25)15-22(3)30(26,27)18-7-6-11-21-14-18/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3
InChIKeySCIAMDHIFQCACR-UHFFFAOYSA-N
XLogP1.32
TPSA107.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-(pyridine-3-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 51255059
N,N-diethyl-1-[3-(pyridin-3-ylmethoxy)benzoyl]-2,3-dihydroindole-5-sulfonamide
CID 55772271
1-[2-(4-bromophenyl)acetyl]-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765097
N,N-diethyl-1-[2-(1-methylpyrazol-4-yl)-2-oxoacetyl]-2,3-dihydroindole-5-sulfonamide
CID 47088893
N,N-diethyl-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-5-sulfonamide
CID 119696154
1-acetyl-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901814
1-(4-amino-3-methoxybutanoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 120587533
1-(2-cyclopentyloxyacetyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 47046893
N,N-diethyl-1-(6-methylpyridine-2-carbonyl)-2,3-dihydroindole-5-sulfonamide
CID 32784650
5-(diethylsulfamoyl)-N-propyl-2,3-dihydroindole-1-carboxamide
CID 53059052
N,N-diethyl-1-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]-2,3-dihydroindole-5-sulfonamide
CID 55538783
1-(cyclopropanecarbonyl)-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 20901749

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 55668145) is N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SCIAMDHIFQCACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S2/c1-4-23(5-2)31(28,29)17-8-9-19-16(13-17)10-12-24(19)20(25)15-22(3)30(26,27)18-7-6-11-21-14-18/h6-9,11,13-14H,4-5,10,12,15H2,1-3H3.
What are the key properties of N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide?
N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 466.59 g/mol, XLogP of 1.32, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[2-[methyl(pyridin-3-ylsulfonyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 55668145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).