N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide

C20H27N3O4S — CID 8960845

IUPACN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H27N3O4S/c1-6-23(7-2)28(25,26)17-11-12-19(22(3)4)18(14-17)21-20(24)15-9-8-10-16(13-15)27-5/h8-14H,6-7H2,1-5H3,(H,21,24)
InChIKeyHHSBECCUAJQKOO-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.04
Rot. Bonds8

About N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide

N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide (PubChem CID 8960845) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
PubChem CID8960845
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C20H27N3O4S/c1-6-23(7-2)28(25,26)17-11-12-19(22(3)4)18(14-17)21-20(24)15-9-8-10-16(13-15)27-5/h8-14H,6-7H2,1-5H3,(H,21,24)
InChIKeyHHSBECCUAJQKOO-UHFFFAOYSA-N
XLogP3.04
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-3-methoxybenzamide
CID 7936803
3-(diethylsulfamoyl)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 4003550
3-chloro-N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-4,5-dimethoxybenzamide
CID 4878392
[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate
CID 1250260
N-[2-(diethylamino)-5-(diethylsulfamoyl)phenyl]-3-(methylsulfonylmethyl)benzamide
CID 16562748
N-[4-(diethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17142416
N-[4-(diethylsulfamoyl)phenyl]-3-ethoxybenzamide
CID 4957423
N-[2-[5-(diethylsulfamoyl)-2-(dimethylamino)anilino]-2-oxoethyl]-N-methylbenzamide
CID 25353442
3-[[(3-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 9473161
N-[5-(diethylsulfamoyl)-2-ethoxyphenyl]-4-methoxybenzamide
CID 8501680
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methylbut-2-enamide
CID 30659892
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2,6-dimethoxybenzamide
CID 3482622

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide (CID 8960845) is N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)c2cccc(OC)c2)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide?
The InChIKey is HHSBECCUAJQKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-6-23(7-2)28(25,26)17-11-12-19(22(3)4)18(14-17)21-20(24)15-9-8-10-16(13-15)27-5/h8-14H,6-7H2,1-5H3,(H,21,24).
What are the key properties of N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide?
N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide has a molecular weight of 405.52 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-(dimethylamino)phenyl]-3-methoxybenzamide is sourced from PubChem (CID 8960845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).