N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide

C19H32N2O5S — CID 7618951

IUPACN-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCS(=O)(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C19H32N2O5S/c1-14(2)12-21(13-15(3)4)27(23,24)8-7-20-19(22)16-9-17(25-5)11-18(10-16)26-6/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,20,22)
InChIKeyFQOQEWNRALXBJO-UHFFFAOYSA-N
MW400.54 g/mol
LogP2.38
Rot. Bonds11

About N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide

N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide (PubChem CID 7618951) has the molecular formula C19H32N2O5S and a molecular weight of 400.54 g/mol. Its IUPAC name is N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide
PubChem CID7618951
Molecular FormulaC19H32N2O5S
Molecular Weight400.54 g/mol
Exact Mass400.20
IUPAC NameN-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NCCS(=O)(=O)N(CC(C)C)CC(C)C)c1
InChIInChI=1S/C19H32N2O5S/c1-14(2)12-21(13-15(3)4)27(23,24)8-7-20-19(22)16-9-17(25-5)11-18(10-16)26-6/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,20,22)
InChIKeyFQOQEWNRALXBJO-UHFFFAOYSA-N
XLogP2.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.54
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
N-[2-(ethylsulfamoyl)ethyl]-3,5-dimethoxybenzamide
CID 7619023
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
4-[(3,5-dimethoxybenzoyl)amino]-2-methylbutanoic acid
CID 80539032
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-(4-chloropentyl)-3,5-dimethoxybenzamide
CID 106130065
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838

Frequently Asked Questions

What is the IUPAC name of N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide (CID 7618951) is N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NCCS(=O)(=O)N(CC(C)C)CC(C)C)c1.
What is the InChIKey of N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide?
The InChIKey is FQOQEWNRALXBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5S/c1-14(2)12-21(13-15(3)4)27(23,24)8-7-20-19(22)16-9-17(25-5)11-18(10-16)26-6/h9-11,14-15H,7-8,12-13H2,1-6H3,(H,20,22).
What are the key properties of N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide?
N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide has a molecular weight of 400.54 g/mol, XLogP of 2.38, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis(2-methylpropyl)sulfamoyl]ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 7618951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).