[4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide

C28H24BrN2O5S- — CID 4748151

IUPAC[4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C28H24BrN2O5S/c1-19-5-3-4-6-26(19)31-37(33,34)25-14-10-23(11-15-25)30-28(32)20-7-16-27(35-2)21(17-20)18-36-24-12-8-22(29)9-13-24/h3-17H,18H2,1-2H3,(H,30,32)/q-1
InChIKeyFHNCKSUAPUWKFX-UHFFFAOYSA-N
MW580.48 g/mol
LogP6.99
Rot. Bonds9

About [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide

[4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide (PubChem CID 4748151) has the molecular formula C28H24BrN2O5S- and a molecular weight of 580.48 g/mol. Its IUPAC name is [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide.

Molecular Properties

Compound Name[4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide
PubChem CID4748151
Molecular FormulaC28H24BrN2O5S-
Molecular Weight580.48 g/mol
Exact Mass579.06
IUPAC Name[4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide
SMILESCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1COc1ccc(Br)cc1
InChIInChI=1S/C28H24BrN2O5S/c1-19-5-3-4-6-26(19)31-37(33,34)25-14-10-23(11-15-25)30-28(32)20-7-16-27(35-2)21(17-20)18-36-24-12-8-22(29)9-13-24/h3-17H,18H2,1-2H3,(H,30,32)/q-1
InChIKeyFHNCKSUAPUWKFX-UHFFFAOYSA-N
XLogP6.99
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.48
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide with MolForge

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Related Compounds

N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
N-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]-3-nitrobenzamide
CID 9370616
[4-[(3,4-dimethoxybenzoyl)amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide
CID 4574778
1-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]-3-(3-methoxyphenyl)thiourea
CID 19581719
4-bromo-N-[3-[(2,5-dimethoxyphenyl)methoxy]-4-(methanesulfonamido)phenyl]benzamide
CID 71747455
2-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]-5-propan-2-ylthiophene-3-carboxamide
CID 999626
methyl 4-[(5-bromo-2-methoxyphenyl)methoxy]benzoate
CID 9019523
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-methoxy-3-prop-2-enylbenzamide
CID 21367927
3-[(4-bromophenoxy)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-4-methoxybenzamide
CID 5043453
N-(4-bromophenyl)-4-hydroxy-3-methoxybenzamide
CID 29261071
N-[4-(dimethylsulfamoyl)phenyl]-3-(ethoxymethyl)-4-methoxybenzamide
CID 9086633
N-[4-[(4-bromobenzoyl)amino]phenyl]-4-ethoxybenzamide
CID 23876301

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide?
The IUPAC name of [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide (CID 4748151) is [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide.
What is the SMILES notation for [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide?
The canonical SMILES for [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide is COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1COc1ccc(Br)cc1.
What is the InChIKey of [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide?
The InChIKey is FHNCKSUAPUWKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24BrN2O5S/c1-19-5-3-4-6-26(19)31-37(33,34)25-14-10-23(11-15-25)30-28(32)20-7-16-27(35-2)21(17-20)18-36-24-12-8-22(29)9-13-24/h3-17H,18H2,1-2H3,(H,30,32)/q-1.
What are the key properties of [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide?
[4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide has a molecular weight of 580.48 g/mol, XLogP of 6.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[(4-bromophenoxy)methyl]-4-methoxybenzoyl]amino]phenyl]sulfonyl-(2-methylphenyl)azanide is sourced from PubChem (CID 4748151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).