N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide

C21H19N3O4S — CID 142738657

IUPACN-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
SMILESNC(=O)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O4S/c22-20(25)13-15-6-4-10-18(12-15)23-21(26)16-7-5-11-19(14-16)29(27,28)24-17-8-2-1-3-9-17/h1-12,14,24H,13H2,(H2,22,25)(H,23,26)
InChIKeyMHZHZTLDNLVYGQ-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.77
Rot. Bonds7

About N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide

N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide (PubChem CID 142738657) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
PubChem CID142738657
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide
SMILESNC(=O)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1
InChIInChI=1S/C21H19N3O4S/c22-20(25)13-15-6-4-10-18(12-15)23-21(26)16-7-5-11-19(14-16)29(27,28)24-17-8-2-1-3-9-17/h1-12,14,24H,13H2,(H2,22,25)(H,23,26)
InChIKeyMHZHZTLDNLVYGQ-UHFFFAOYSA-N
XLogP2.77
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[3-(phenylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 142738812
N-[3-(hydroxymethyl)phenyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164338
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 31855089
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300326
3-(benzylsulfamoyl)-N-[3-(hydroxymethyl)phenyl]benzamide
CID 9300349
3-[[3-[(3-phenoxyphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 142738706
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[[3-(phenylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 4100122
2-[3-[[3-(cyclopropylmethylsulfamoyl)benzoyl]amino]phenyl]acetic acid
CID 119351789
N-[3-(methoxymethyl)phenyl]-4-(phenylsulfamoyl)benzamide
CID 32638750
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 33231642
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide (CID 142738657) is N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide is NC(=O)Cc1cccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)c1.
What is the InChIKey of N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
The InChIKey is MHZHZTLDNLVYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c22-20(25)13-15-6-4-10-18(12-15)23-21(26)16-7-5-11-19(14-16)29(27,28)24-17-8-2-1-3-9-17/h1-12,14,24H,13H2,(H2,22,25)(H,23,26).
What are the key properties of N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide?
N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide has a molecular weight of 409.47 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethyl)phenyl]-3-(phenylsulfamoyl)benzamide is sourced from PubChem (CID 142738657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).