N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide

C18H18ClN3O5S — CID 56516786

IUPACN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)ccc1Cl
InChIInChI=1S/C18H18ClN3O5S/c1-28(26,27)15-10-11(6-7-13(15)19)17(24)22-14-5-3-2-4-12(14)18(25)21-9-8-16(20)23/h2-7,10H,8-9H2,1H3,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyLPWFLBSQPZZHFV-UHFFFAOYSA-N
MW423.88 g/mol
LogP1.60
Rot. Bonds7

About N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide

N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide (PubChem CID 56516786) has the molecular formula C18H18ClN3O5S and a molecular weight of 423.88 g/mol. Its IUPAC name is N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
PubChem CID56516786
Molecular FormulaC18H18ClN3O5S
Molecular Weight423.88 g/mol
Exact Mass423.07
IUPAC NameN-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)ccc1Cl
InChIInChI=1S/C18H18ClN3O5S/c1-28(26,27)15-10-11(6-7-13(15)19)17(24)22-14-5-3-2-4-12(14)18(25)21-9-8-16(20)23/h2-7,10H,8-9H2,1H3,(H2,20,23)(H,21,25)(H,22,24)
InChIKeyLPWFLBSQPZZHFV-UHFFFAOYSA-N
XLogP1.60
TPSA135.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.88
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-3-methylsulfonylbenzamide
CID 55466634
N-(3-amino-3-oxopropyl)-2-[[4-(tert-butylsulfamoyl)benzoyl]amino]benzamide
CID 56515635
4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]-N-[2-(propylcarbamoyl)phenyl]benzamide
CID 126413232
4-chloro-3-(dimethylsulfamoyl)-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 29441571
N-(3-amino-3-oxopropyl)-2-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 56515891
N-(3-amino-3-oxopropyl)-2-[[4-[(2-methylphenyl)sulfamoyl]benzoyl]amino]benzamide
CID 56515640
N-(3-amino-3-oxopropyl)-2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]benzamide
CID 56572924
N-[2-(butylcarbamoyl)phenyl]-4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 126415159
4-chloro-3-methylsulfonylbenzohydrazide
CID 43091103
N-(3-amino-3-oxopropyl)-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 56573149
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 56514869
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-2-butyl-1,3-dioxoisoindole-5-carboxamide
CID 56516149

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide?
The IUPAC name of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide (CID 56516786) is N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide?
The canonical SMILES for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(=O)NCCC(N)=O)ccc1Cl.
What is the InChIKey of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide?
The InChIKey is LPWFLBSQPZZHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O5S/c1-28(26,27)15-10-11(6-7-13(15)19)17(24)22-14-5-3-2-4-12(14)18(25)21-9-8-16(20)23/h2-7,10H,8-9H2,1H3,(H2,20,23)(H,21,25)(H,22,24).
What are the key properties of N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide?
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide has a molecular weight of 423.88 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-4-chloro-3-methylsulfonylbenzamide is sourced from PubChem (CID 56516786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).