N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide

C29H26BrNO4S — CID 110166007

IUPACN-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide
SMILESCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(CCc2ccccc2)c1
InChIInChI=1S/C29H26BrNO4S/c1-2-35-28-11-7-6-10-26(28)22-14-19-27(23(20-22)13-12-21-8-4-3-5-9-21)29(32)31-36(33,34)25-17-15-24(30)16-18-25/h3-11,14-20H,2,12-13H2,1H3,(H,31,32)
InChIKeyZOIUBIHKTHDYRF-UHFFFAOYSA-N
MW564.50 g/mol
LogP6.42
Rot. Bonds9

About N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide

N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide (PubChem CID 110166007) has the molecular formula C29H26BrNO4S and a molecular weight of 564.50 g/mol. Its IUPAC name is N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide
PubChem CID110166007
Molecular FormulaC29H26BrNO4S
Molecular Weight564.50 g/mol
Exact Mass563.08
IUPAC NameN-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide
SMILESCCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(CCc2ccccc2)c1
InChIInChI=1S/C29H26BrNO4S/c1-2-35-28-11-7-6-10-26(28)22-14-19-27(23(20-22)13-12-21-8-4-3-5-9-21)29(32)31-36(33,34)25-17-15-24(30)16-18-25/h3-11,14-20H,2,12-13H2,1H3,(H,31,32)
InChIKeyZOIUBIHKTHDYRF-UHFFFAOYSA-N
XLogP6.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.50
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide
CID 110165969
N-(4-bromophenyl)sulfonyl-4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)benzamide
CID 110161945
N-(4-tert-butylphenyl)sulfonyl-4-(4-methoxy-2-propoxyphenyl)-2-(2-phenylethyl)benzamide
CID 110161937
N-(3-chloro-2-methylphenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-methylpropyl)benzamide
CID 110077573
2-ethyl-N-(2-nitrophenyl)sulfonyl-4-(2-propoxyphenyl)benzamide
CID 175659166
2-(4-bromophenyl)-N-(3,4-diethoxyphenyl)sulfonylacetamide
CID 166182044
5-bromo-2-ethoxy-N-[[4-(2-phenylethylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 17353135
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
CID 155988744
2-benzyl-N-(4-methylphenyl)sulfonylbenzamide
CID 132940994
4-(2-ethoxy-5-methylphenyl)-2-(2-methylpropyl)-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077583
N-(benzenesulfonyl)-3-(2-ethoxyphenyl)propanamide
CID 87011276
2-[(4-bromophenyl)methoxy]-4-methyl-N-(4-methylsulfonylphenyl)sulfonylbenzamide
CID 110161798

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide?
The IUPAC name of N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide (CID 110166007) is N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide?
The canonical SMILES for N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide is CCOc1ccccc1-c1ccc(C(=O)NS(=O)(=O)c2ccc(Br)cc2)c(CCc2ccccc2)c1.
What is the InChIKey of N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide?
The InChIKey is ZOIUBIHKTHDYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrNO4S/c1-2-35-28-11-7-6-10-26(28)22-14-19-27(23(20-22)13-12-21-8-4-3-5-9-21)29(32)31-36(33,34)25-17-15-24(30)16-18-25/h3-11,14-20H,2,12-13H2,1H3,(H,31,32).
What are the key properties of N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide?
N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide has a molecular weight of 564.50 g/mol, XLogP of 6.42, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)sulfonyl-4-(2-ethoxyphenyl)-2-(2-phenylethyl)benzamide is sourced from PubChem (CID 110166007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).