N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide

C24H23ClN2O4S — CID 4246708

IUPACN-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide
SMILESCCCC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O4S/c1-2-6-23(28)27-21-15-18(24(29)26-16-17-7-4-3-5-8-17)9-14-22(21)32(30,31)20-12-10-19(25)11-13-20/h3-5,7-15H,2,6,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyDLVWFTYPYMWUDQ-UHFFFAOYSA-N
MW470.98 g/mol
LogP4.84
Rot. Bonds8

About N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide

N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide (PubChem CID 4246708) has the molecular formula C24H23ClN2O4S and a molecular weight of 470.98 g/mol. Its IUPAC name is N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide
PubChem CID4246708
Molecular FormulaC24H23ClN2O4S
Molecular Weight470.98 g/mol
Exact Mass470.11
IUPAC NameN-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide
SMILESCCCC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN2O4S/c1-2-6-23(28)27-21-15-18(24(29)26-16-17-7-4-3-5-8-17)9-14-22(21)32(30,31)20-12-10-19(25)11-13-20/h3-5,7-15H,2,6,16H2,1H3,(H,26,29)(H,27,28)
InChIKeyDLVWFTYPYMWUDQ-UHFFFAOYSA-N
XLogP4.84
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.98
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[(2-Chloro-6-fluorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-carboxamide
CID 3369827
6-(3-chloro-6,11,11-trioxobenzo[b][1,4]benzothiazepin-5-yl)-N-hydroxyhexanamide
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10-ethyl-N-(4-methylbenzyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide 5-oxide
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CID 16007820
5-ethyl-6,11-dioxo-N-(1-phenylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
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(R)-3-amino-4-chloro-N-(2-(4-(4-fluoro-2-(methylsulfonyl)phenyl)piperazin-1-yl)-2-oxo-1-phenylethyl)benzamide
CID 52944468
N-benzyl-5-ethyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383399
N-[3-(dimethylamino)propyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383406
N-[(4-chlorophenyl)methyl]-5-methyl-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxamide
CID 57383411
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide?
The IUPAC name of N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide (CID 4246708) is N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide.
What is the SMILES notation for N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide?
The canonical SMILES for N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide is CCCC(=O)Nc1cc(C(=O)NCc2ccccc2)ccc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide?
The InChIKey is DLVWFTYPYMWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O4S/c1-2-6-23(28)27-21-15-18(24(29)26-16-17-7-4-3-5-8-17)9-14-22(21)32(30,31)20-12-10-19(25)11-13-20/h3-5,7-15H,2,6,16H2,1H3,(H,26,29)(H,27,28).
What are the key properties of N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide?
N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide has a molecular weight of 470.98 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(butanoylamino)-4-(4-chlorophenyl)sulfonylbenzamide is sourced from PubChem (CID 4246708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).