N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide

C22H21N3O4S — CID 55734276

IUPACN-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c26-21(23-15-16-30(28,29)20-9-5-2-6-10-20)17-11-13-19(14-12-17)25-22(27)24-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,26)(H2,24,25,27)
InChIKeyCFDDUJROXOQHJV-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.53
Rot. Bonds7

About N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide

N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide (PubChem CID 55734276) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide
PubChem CID55734276
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide
SMILESO=C(Nc1ccccc1)Nc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c26-21(23-15-16-30(28,29)20-9-5-2-6-10-20)17-11-13-19(14-12-17)25-22(27)24-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,26)(H2,24,25,27)
InChIKeyCFDDUJROXOQHJV-UHFFFAOYSA-N
XLogP3.53
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(benzenesulfonyl)propyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 60593361
N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 17234281
N-[2-(benzenesulfonyl)ethyl]-4-butoxybenzamide
CID 55735839
N-[2-(benzenesulfonyl)ethyl]-3-(benzenesulfonylmethyl)benzamide
CID 55844593
3-(4-benzamidophenyl)sulfonylpropanoic acid
CID 18368976
N-[2-(benzenesulfonyl)ethyl]-2-methylpropanamide
CID 21034169
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943
4-(dimethylsulfamoyl)-N-[4-(phenylcarbamoylamino)phenyl]benzamide
CID 18289472
N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046512
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
4-[(2-ethylphenyl)carbamoylamino]-N-propylbenzamide
CID 17180735
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide?
The IUPAC name of N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide (CID 55734276) is N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide.
What is the SMILES notation for N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide?
The canonical SMILES for N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide is O=C(Nc1ccccc1)Nc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide?
The InChIKey is CFDDUJROXOQHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c26-21(23-15-16-30(28,29)20-9-5-2-6-10-20)17-11-13-19(14-12-17)25-22(27)24-18-7-3-1-4-8-18/h1-14H,15-16H2,(H,23,26)(H2,24,25,27).
What are the key properties of N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide?
N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide has a molecular weight of 423.49 g/mol, XLogP of 3.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzenesulfonyl)ethyl]-4-(phenylcarbamoylamino)benzamide is sourced from PubChem (CID 55734276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).