3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

C24H25NO4S — CID 86943575

IUPAC3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N(CCO)CCc1ccccc1
InChIInChI=1S/C24H25NO4S/c26-17-16-25(15-14-20-8-3-1-4-9-20)24(27)22-11-7-10-21(18-22)19-30(28,29)23-12-5-2-6-13-23/h1-13,18,26H,14-17,19H2
InChIKeyAPZGFPUSXAGCIO-UHFFFAOYSA-N
MW423.53 g/mol
LogP3.34
Rot. Bonds9

About 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide

3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (PubChem CID 86943575) has the molecular formula C24H25NO4S and a molecular weight of 423.53 g/mol. Its IUPAC name is 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
PubChem CID86943575
Molecular FormulaC24H25NO4S
Molecular Weight423.53 g/mol
Exact Mass423.15
IUPAC Name3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
SMILESO=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N(CCO)CCc1ccccc1
InChIInChI=1S/C24H25NO4S/c26-17-16-25(15-14-20-8-3-1-4-9-20)24(27)22-11-7-10-21(18-22)19-30(28,29)23-12-5-2-6-13-23/h1-13,18,26H,14-17,19H2
InChIKeyAPZGFPUSXAGCIO-UHFFFAOYSA-N
XLogP3.34
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)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

2-[[3-(benzenesulfonylmethyl)benzoyl]-(2-methylpropyl)amino]acetic acid
CID 119193442
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
2-[[3-(benzenesulfonylmethyl)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119200849
2-[[3-(benzenesulfonylmethyl)benzoyl]-propan-2-ylamino]acetic acid
CID 119198774
4-cyclopentylsulfonyl-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide
CID 86943568
N-(2-hydroxyethyl)-N-(2-phenylethyl)-3-(propanoylamino)benzamide
CID 111122030
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
N-(2-hydroxyethyl)-N-(2-phenylethyl)thiophene-3-carboxamide
CID 111122178
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
3-(benzenesulfonylmethyl)-N-(2-hydroxypropyl)benzamide
CID 78887849
N-(2-hydroxyethyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 75390476

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The IUPAC name of 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide (CID 86943575) is 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The canonical SMILES for 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N(CCO)CCc1ccccc1.
What is the InChIKey of 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
The InChIKey is APZGFPUSXAGCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4S/c26-17-16-25(15-14-20-8-3-1-4-9-20)24(27)22-11-7-10-21(18-22)19-30(28,29)23-12-5-2-6-13-23/h1-13,18,26H,14-17,19H2.
What are the key properties of 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide?
3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide has a molecular weight of 423.53 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonylmethyl)-N-(2-hydroxyethyl)-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 86943575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).