N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide

C42H37Cl2N3O6S — CID 175656488

IUPACN-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Cc2cc(Cc3ccccc3)c(OCc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C42H37Cl2N3O6S/c1-28-40(46-27-53-28)42(49)45-20-19-29-11-17-38(18-12-29)54(50,51)47-39(48)25-33-23-34(21-30-5-3-2-4-6-30)41(52-26-32-9-15-37(44)16-10-32)35(24-33)22-31-7-13-36(43)14-8-31/h2-18,23-24,27H,19-22,25-26H2,1H3,(H,45,49)(H,47,48)
InChIKeyINCVNVSABMLMTP-UHFFFAOYSA-N
MW782.75 g/mol
LogP8.07
Rot. Bonds15

About N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide

N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 175656488) has the molecular formula C42H37Cl2N3O6S and a molecular weight of 782.75 g/mol. Its IUPAC name is N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID175656488
Molecular FormulaC42H37Cl2N3O6S
Molecular Weight782.75 g/mol
Exact Mass781.18
IUPAC NameN-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Cc2cc(Cc3ccccc3)c(OCc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C42H37Cl2N3O6S/c1-28-40(46-27-53-28)42(49)45-20-19-29-11-17-38(18-12-29)54(50,51)47-39(48)25-33-23-34(21-30-5-3-2-4-6-30)41(52-26-32-9-15-37(44)16-10-32)35(24-33)22-31-7-13-36(43)14-8-31/h2-18,23-24,27H,19-22,25-26H2,1H3,(H,45,49)(H,47,48)
InChIKeyINCVNVSABMLMTP-UHFFFAOYSA-N
XLogP8.07
TPSA127.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500782.75
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide 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-[3,5-dibenzyl-4-[(4-chlorophenyl)methoxy]phenyl]acetic acid
CID 175659552
N-[2-(4-chlorophenyl)ethyl]-2-phenylmethoxyquinoline-4-carboxamide
CID 22577984
N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
CID 59768002
5-[[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenyl]sulfonylcarbamoyl]-3-pentylpyridine-2-carboxylic acid
CID 19928379
4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 51218673
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
N-[2-(4-chlorophenyl)ethyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9217544
N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonyl-6-(phenylmethoxymethyl)pyridine-3-carboxamide
CID 139634763
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridazine-3-carboxamide
CID 55750161
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
[5-[[4-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]sulfonylcarbamoyl]-3-phenylmethoxy-2-pyridinyl] N-(2-aminoacetyl)carbamate
CID 67791800

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide (CID 175656488) is N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)Cc2cc(Cc3ccccc3)c(OCc3ccc(Cl)cc3)c(Cc3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is INCVNVSABMLMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H37Cl2N3O6S/c1-28-40(46-27-53-28)42(49)45-20-19-29-11-17-38(18-12-29)54(50,51)47-39(48)25-33-23-34(21-30-5-3-2-4-6-30)41(52-26-32-9-15-37(44)16-10-32)35(24-33)22-31-7-13-36(43)14-8-31/h2-18,23-24,27H,19-22,25-26H2,1H3,(H,45,49)(H,47,48).
What are the key properties of N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide?
N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 782.75 g/mol, XLogP of 8.07, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-[3-benzyl-4-[(4-chlorophenyl)methoxy]-5-[(4-chlorophenyl)methyl]phenyl]acetyl]sulfamoyl]phenyl]ethyl]-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 175656488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).