N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

C25H27N3O4S — CID 34338889

IUPACN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1)C(C)=O
InChIInChI=1S/C25H27N3O4S/c1-4-28(19(3)29)17-20-6-5-7-23(16-20)26-25(30)21-10-14-24(15-11-21)33(31,32)27-22-12-8-18(2)9-13-22/h5-16,27H,4,17H2,1-3H3,(H,26,30)
InChIKeyDKJBCYWCSUFKCL-UHFFFAOYSA-N
MW465.58 g/mol
LogP4.42
Rot. Bonds8

About N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (PubChem CID 34338889) has the molecular formula C25H27N3O4S and a molecular weight of 465.58 g/mol. Its IUPAC name is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
PubChem CID34338889
Molecular FormulaC25H27N3O4S
Molecular Weight465.58 g/mol
Exact Mass465.17
IUPAC NameN-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
SMILESCCN(Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1)C(C)=O
InChIInChI=1S/C25H27N3O4S/c1-4-28(19(3)29)17-20-6-5-7-23(16-20)26-25(30)21-10-14-24(15-11-21)33(31,32)27-22-12-8-18(2)9-13-22/h5-16,27H,4,17H2,1-3H3,(H,26,30)
InChIKeyDKJBCYWCSUFKCL-UHFFFAOYSA-N
XLogP4.42
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 46440370
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N,N-dibenzyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 1252923
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 3918199
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-pentoxybenzamide
CID 38810181
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-(4-acetylphenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 7542008
N-ethyl-4-[(4-methylphenyl)sulfamoyl]-N-(2-methylprop-2-enyl)benzamide
CID 29265946
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
N-[[3-[(1,3-dioxoisoindol-5-yl)sulfonylamino]phenyl]methyl]-N-ethylacetamide
CID 56582632

Frequently Asked Questions

What is the IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide (CID 34338889) is N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is CCN(Cc1cccc(NC(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1)C(C)=O.
What is the InChIKey of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
The InChIKey is DKJBCYWCSUFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4S/c1-4-28(19(3)29)17-20-6-5-7-23(16-20)26-25(30)21-10-14-24(15-11-21)33(31,32)27-22-12-8-18(2)9-13-22/h5-16,27H,4,17H2,1-3H3,(H,26,30).
What are the key properties of N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide?
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide has a molecular weight of 465.58 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-[(4-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 34338889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).