3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

C24H26N2O4S — CID 38502452

IUPAC3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18(2)30-22-13-11-19(12-14-22)15-16-25-24(27)20-7-6-8-21(17-20)26-31(28,29)23-9-4-3-5-10-23/h3-14,17-18,26H,15-16H2,1-2H3,(H,25,27)
InChIKeyPJLDJVRJXBOHRM-UHFFFAOYSA-N
MW438.55 g/mol
LogP4.25
Rot. Bonds9

About 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide

3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (PubChem CID 38502452) has the molecular formula C24H26N2O4S and a molecular weight of 438.55 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
PubChem CID38502452
Molecular FormulaC24H26N2O4S
Molecular Weight438.55 g/mol
Exact Mass438.16
IUPAC Name3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
SMILESCC(C)Oc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C24H26N2O4S/c1-18(2)30-22-13-11-19(12-14-22)15-16-25-24(27)20-7-6-8-21(17-20)26-31(28,29)23-9-4-3-5-10-23/h3-14,17-18,26H,15-16H2,1-2H3,(H,25,27)
InChIKeyPJLDJVRJXBOHRM-UHFFFAOYSA-N
XLogP4.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 41448889
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-[2-(4-methoxyphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27548654
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-(methylsulfamoyl)benzamide
CID 46612917
4-[2-[[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoyl]amino]ethyl]benzoic acid
CID 174539218
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650130
1-[[3-[(4-ethoxyphenyl)sulfonylamino]benzoyl]amino]-3-(2-phenylethyl)thiourea
CID 4847637
4-propan-2-yloxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 4794711
N-[2-(4-butoxyphenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 55751801

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide (CID 38502452) is 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is CC(C)Oc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
The InChIKey is PJLDJVRJXBOHRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S/c1-18(2)30-22-13-11-19(12-14-22)15-16-25-24(27)20-7-6-8-21(17-20)26-31(28,29)23-9-4-3-5-10-23/h3-14,17-18,26H,15-16H2,1-2H3,(H,25,27).
What are the key properties of 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide?
3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide has a molecular weight of 438.55 g/mol, XLogP of 4.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide is sourced from PubChem (CID 38502452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).