N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

C26H29N3O5S — CID 55655520

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCCN(Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)c1)C(C)=O
InChIInChI=1S/C26H29N3O5S/c1-5-29(19(2)30)18-20-8-6-10-22(16-20)27-26(31)21-9-7-11-25(17-21)35(32,33)28(3)23-12-14-24(34-4)15-13-23/h6-17H,5,18H2,1-4H3,(H,27,31)
InChIKeySCRKVQMUMVEOQE-UHFFFAOYSA-N
MW495.60 g/mol
LogP4.14
Rot. Bonds9

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (PubChem CID 55655520) has the molecular formula C26H29N3O5S and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
PubChem CID55655520
Molecular FormulaC26H29N3O5S
Molecular Weight495.60 g/mol
Exact Mass495.18
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
SMILESCCN(Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)c1)C(C)=O
InChIInChI=1S/C26H29N3O5S/c1-5-29(19(2)30)18-20-8-6-10-22(16-20)27-26(31)21-9-7-11-25(17-21)35(32,33)28(3)23-12-14-24(34-4)15-13-23/h6-17H,5,18H2,1-4H3,(H,27,31)
InChIKeySCRKVQMUMVEOQE-UHFFFAOYSA-N
XLogP4.14
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-acetamidophenyl)methyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 55688761
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55609521
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087855
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-methylbenzamide
CID 51156149
N-(2-benzylphenyl)-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2399081
2-chloro-4-[[3-[(4-methoxyphenyl)-methylsulfamoyl]benzoyl]amino]benzamide
CID 55611031
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 55920679
3-(benzamidocarbamoyl)-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 2572195
methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 8871525
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[4-(tetrazol-1-yl)phenyl]benzamide
CID 2553279
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55778587
3-[(4-methoxyphenyl)-methylsulfamoyl]-N-prop-2-ynylbenzamide
CID 30600851

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide (CID 55655520) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is CCN(Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
The InChIKey is SCRKVQMUMVEOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S/c1-5-29(19(2)30)18-20-8-6-10-22(16-20)27-26(31)21-9-7-11-25(17-21)35(32,33)28(3)23-12-14-24(34-4)15-13-23/h6-17H,5,18H2,1-4H3,(H,27,31).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide has a molecular weight of 495.60 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide is sourced from PubChem (CID 55655520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).