N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C18H18ClN3O4S — CID 9295541

IUPACN-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C18H18ClN3O4S/c1-2-10-22(13-6-4-3-5-7-13)27(25,26)14-8-9-16(19)15(11-14)18(24)21-12-17(20)23/h2-9,11H,1,10,12H2,(H2,20,23)(H,21,24)
InChIKeyQPNGIOUTZQRDQM-UHFFFAOYSA-N
MW407.88 g/mol
LogP1.94
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 9295541) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID9295541
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(N)=O)c1
InChIInChI=1S/C18H18ClN3O4S/c1-2-10-22(13-6-4-3-5-7-13)27(25,26)14-8-9-16(19)15(11-14)18(24)21-12-17(20)23/h2-9,11H,1,10,12H2,(H2,20,23)(H,21,24)
InChIKeyQPNGIOUTZQRDQM-UHFFFAOYSA-N
XLogP1.94
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(4-chlorophenyl)methyl]-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 5211087
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoic acid
CID 2375923
N-benzyl-2-chloro-5-[(4-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 3277354
2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 2675123
N-benzyl-2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 17446439
(2-methoxy-2-oxoethyl) 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 16569634
[2-oxo-2-(propan-2-ylamino)ethyl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2585598
(4-cyanophenyl)methyl 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2585699
2-chloro-5-[(4-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897023
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzoate
CID 2585592
N-(3-chlorophenyl)-2-fluoro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4611250
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 7959591

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 9295541) is N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is QPNGIOUTZQRDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c1-2-10-22(13-6-4-3-5-7-13)27(25,26)14-8-9-16(19)15(11-14)18(24)21-12-17(20)23/h2-9,11H,1,10,12H2,(H2,20,23)(H,21,24).
What are the key properties of N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 407.88 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 9295541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).