5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C21H29N3O3S — CID 60556699

IUPAC5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C21H29N3O3S/c1-6-23(7-2)28(26,27)19-11-10-17(5)20(13-19)21(25)24(16(3)4)15-18-9-8-12-22-14-18/h8-14,16H,6-7,15H2,1-5H3
InChIKeyILHYRQIEWTWRFM-UHFFFAOYSA-N
MW403.55 g/mol
LogP3.47
Rot. Bonds8

About 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 60556699) has the molecular formula C21H29N3O3S and a molecular weight of 403.55 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID60556699
Molecular FormulaC21H29N3O3S
Molecular Weight403.55 g/mol
Exact Mass403.19
IUPAC Name5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2cccnc2)C(C)C)c1
InChIInChI=1S/C21H29N3O3S/c1-6-23(7-2)28(26,27)19-11-10-17(5)20(13-19)21(25)24(16(3)4)15-18-9-8-12-22-14-18/h8-14,16H,6-7,15H2,1-5H3
InChIKeyILHYRQIEWTWRFM-UHFFFAOYSA-N
XLogP3.47
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.55
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55993514
N-benzyl-2-bromo-5-(diethylsulfamoyl)-N-propan-2-ylbenzamide
CID 30099721
2-chloro-N-propan-2-yl-5-(propan-2-ylsulfamoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 60556723
5-(diethylsulfamoyl)-2-methyl-N-pyridin-3-ylbenzamide
CID 2993264
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
2-[(3,4-dimethylphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]acetic acid
CID 146128171
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 60556699) is 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(Cc2cccnc2)C(C)C)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is ILHYRQIEWTWRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3S/c1-6-23(7-2)28(26,27)19-11-10-17(5)20(13-19)21(25)24(16(3)4)15-18-9-8-12-22-14-18/h8-14,16H,6-7,15H2,1-5H3.
What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 403.55 g/mol, XLogP of 3.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-2-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 60556699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).