N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

C23H29ClN2O4S — CID 43002903

IUPACN-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCCOCCCC)c1
InChIInChI=1S/C23H29ClN2O4S/c1-3-5-16-30-17-9-14-25-23(27)19-10-8-11-20(18-19)31(28,29)26(15-4-2)22-13-7-6-12-21(22)24/h4,6-8,10-13,18H,2-3,5,9,14-17H2,1H3,(H,25,27)
InChIKeyYJPKPCMYJZQGOG-UHFFFAOYSA-N
MW465.02 g/mol
LogP4.66
Rot. Bonds13

About N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide

N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (PubChem CID 43002903) has the molecular formula C23H29ClN2O4S and a molecular weight of 465.02 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
PubChem CID43002903
Molecular FormulaC23H29ClN2O4S
Molecular Weight465.02 g/mol
Exact Mass464.15
IUPAC NameN-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCCOCCCC)c1
InChIInChI=1S/C23H29ClN2O4S/c1-3-5-16-30-17-9-14-25-23(27)19-10-8-11-20(18-19)31(28,29)26(15-4-2)22-13-7-6-12-21(22)24/h4,6-8,10-13,18H,2-3,5,9,14-17H2,1H3,(H,25,27)
InChIKeyYJPKPCMYJZQGOG-UHFFFAOYSA-N
XLogP4.66
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.02
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-butoxypropyl)-2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]benzamide
CID 46799052
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(3-methoxypropyl)benzamide
CID 2538961
N-(1,3-benzodioxol-5-ylmethyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 2496817
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
N-(2-chlorophenyl)-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]-N-prop-2-enylbenzenesulfonamide
CID 30131964
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-pyridin-4-ylethyl)benzamide
CID 112761323
N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide
CID 55781310
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)benzamide
CID 55561000
(4-cyanophenyl) 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 2409931
[2-(2-cyanoethylamino)-2-oxoethyl] 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 42984639
methyl 5-[[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 35836079
3-[ethyl(phenyl)sulfamoyl]-N-[3-(2-phenylethoxy)propyl]benzamide
CID 55889436

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The IUPAC name of N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide (CID 43002903) is N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide.
What is the SMILES notation for N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The canonical SMILES for N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NCCCOCCCC)c1.
What is the InChIKey of N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
The InChIKey is YJPKPCMYJZQGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN2O4S/c1-3-5-16-30-17-9-14-25-23(27)19-10-8-11-20(18-19)31(28,29)26(15-4-2)22-13-7-6-12-21(22)24/h4,6-8,10-13,18H,2-3,5,9,14-17H2,1H3,(H,25,27).
What are the key properties of N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide?
N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide has a molecular weight of 465.02 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide is sourced from PubChem (CID 43002903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).