4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

C22H31N3O4S — CID 46522380

IUPAC4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C22H31N3O4S/c1-6-16(2)24-30(27,28)18-13-11-17(12-14-18)22(26)23-15-20(25(3)4)19-9-7-8-10-21(19)29-5/h7-14,16,20,24H,6,15H2,1-5H3,(H,23,26)
InChIKeyALZLACHUXIWPRR-UHFFFAOYSA-N
MW433.57 g/mol
LogP2.80
Rot. Bonds10

About 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide

4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (PubChem CID 46522380) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
PubChem CID46522380
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
SMILESCCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2OC)N(C)C)cc1
InChIInChI=1S/C22H31N3O4S/c1-6-16(2)24-30(27,28)18-13-11-17(12-14-18)22(26)23-15-20(25(3)4)19-9-7-8-10-21(19)29-5/h7-14,16,20,24H,6,15H2,1-5H3,(H,23,26)
InChIKeyALZLACHUXIWPRR-UHFFFAOYSA-N
XLogP2.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 25391278
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 27796134
4-tert-butyl-N-[(2S)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31322515
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 31322613
4-cyano-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 26750941
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55350130
N-(2-anilino-3-methylbutyl)-4-(butan-2-ylsulfamoyl)benzamide
CID 55535044
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 55521571
3,4-dichloro-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 17458646
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide (CID 46522380) is 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is CCC(C)NS(=O)(=O)c1ccc(C(=O)NCC(c2ccccc2OC)N(C)C)cc1.
What is the InChIKey of 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
The InChIKey is ALZLACHUXIWPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-6-16(2)24-30(27,28)18-13-11-17(12-14-18)22(26)23-15-20(25(3)4)19-9-7-8-10-21(19)29-5/h7-14,16,20,24H,6,15H2,1-5H3,(H,23,26).
What are the key properties of 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide?
4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide has a molecular weight of 433.57 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylsulfamoyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46522380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).