N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

C25H28N2O5S — CID 30150400

IUPACN-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O5S/c1-5-33(29,30)27(2)21-17-23(32-4)22(31-3)16-20(21)25(28)26-24(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,24H,5H2,1-4H3,(H,26,28)
InChIKeyPPRLQIGKMUAZKF-UHFFFAOYSA-N
MW468.58 g/mol
LogP4.01
Rot. Bonds9

About N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide

N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (PubChem CID 30150400) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
PubChem CID30150400
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC NameN-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
SMILESCCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28N2O5S/c1-5-33(29,30)27(2)21-17-23(32-4)22(31-3)16-20(21)25(28)26-24(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,24H,5H2,1-4H3,(H,26,28)
InChIKeyPPRLQIGKMUAZKF-UHFFFAOYSA-N
XLogP4.01
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide 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

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150470
N-butyl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149679
N-[2-(4-benzhydrylpiperazine-1-carbonyl)-4,5-dimethoxyphenyl]-N-methylethanesulfonamide
CID 43889346
N-(3-chloro-2-methylphenyl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30149936
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(pyridin-2-ylmethyl)benzamide
CID 30149815
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-prop-2-enylbenzamide
CID 30149704
N-benzhydryl-3-[ethylsulfonyl(methyl)amino]benzamide
CID 100786033
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide
CID 30150068
2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 43889355
[6-(benzhydrylcarbamoyl)-2,3,4-trimethoxyphenyl]azanium chloride
CID 110181282
2,5-dimethoxy-N-[(S)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 9118748
4,5-dimethoxy-2-methyl-N-(1-phenylpropyl)benzamide
CID 56728755

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The IUPAC name of N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide (CID 30150400) is N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide.
What is the SMILES notation for N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The canonical SMILES for N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is CCS(=O)(=O)N(C)c1cc(OC)c(OC)cc1C(=O)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
The InChIKey is PPRLQIGKMUAZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-5-33(29,30)27(2)21-17-23(32-4)22(31-3)16-20(21)25(28)26-24(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-17,24H,5H2,1-4H3,(H,26,28).
What are the key properties of N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide?
N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide has a molecular weight of 468.58 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[ethylsulfonyl(methyl)amino]-4,5-dimethoxybenzamide is sourced from PubChem (CID 30150400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).