N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

C22H28N2O3S — CID 30837665

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-4-24(5-2)28(26,27)21-15-20(12-9-16(21)3)23-22(25)14-17-10-11-18-7-6-8-19(18)13-17/h9-13,15H,4-8,14H2,1-3H3,(H,23,25)
InChIKeyJYVISWVVGGFRPI-UHFFFAOYSA-N
MW400.54 g/mol
LogP3.70
Rot. Bonds7

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (PubChem CID 30837665) has the molecular formula C22H28N2O3S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
PubChem CID30837665
Molecular FormulaC22H28N2O3S
Molecular Weight400.54 g/mol
Exact Mass400.18
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1C
InChIInChI=1S/C22H28N2O3S/c1-4-24(5-2)28(26,27)21-15-20(12-9-16(21)3)23-22(25)14-17-10-11-18-7-6-8-19(18)13-17/h9-13,15H,4-8,14H2,1-3H3,(H,23,25)
InChIKeyJYVISWVVGGFRPI-UHFFFAOYSA-N
XLogP3.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 7689008
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-sulfamoylphenyl)acetamide
CID 56511573
2-[[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]amino]-N-methylacetamide
CID 8771644
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1,2-dihydroacenaphthylen-5-ylamino)acetamide
CID 16576546
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
[2-[3-(diethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8711948
1-tert-butyl-3-[3-(diethylsulfamoyl)-4-methylphenyl]urea
CID 8002731
2-[benzyl(ethyl)amino]-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide
CID 8541301
N-[3-(diethylsulfamoyl)-4-methylphenyl]-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559295
7-amino-N-[3-(diethylsulfamoyl)-4-methylphenyl]heptanamide;hydrochloride
CID 119674944
N-[3-(diethylsulfamoyl)-4-methylphenyl]-3-(3,6-dioxo-1H-pyridazin-2-yl)propanamide
CID 4840413
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141062

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide (CID 30837665) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)Cc2ccc3c(c2)CCC3)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
The InChIKey is JYVISWVVGGFRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S/c1-4-24(5-2)28(26,27)21-15-20(12-9-16(21)3)23-22(25)14-17-10-11-18-7-6-8-19(18)13-17/h9-13,15H,4-8,14H2,1-3H3,(H,23,25).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide has a molecular weight of 400.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide is sourced from PubChem (CID 30837665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).