N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide

C24H28ClN3O4S — CID 55781310

IUPACN-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC(CNC(C)=O)CC2)c1
InChIInChI=1S/C24H28ClN3O4S/c1-3-13-28(23-10-5-4-9-22(23)25)33(31,32)21-8-6-7-20(16-21)24(30)27-14-11-19(12-15-27)17-26-18(2)29/h3-10,16,19H,1,11-15,17H2,2H3,(H,26,29)
InChIKeyGEABSDDXQDVQIG-UHFFFAOYSA-N
MW490.03 g/mol
LogP3.71
Rot. Bonds8

About N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide

N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 55781310) has the molecular formula C24H28ClN3O4S and a molecular weight of 490.03 g/mol. Its IUPAC name is N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide
PubChem CID55781310
Molecular FormulaC24H28ClN3O4S
Molecular Weight490.03 g/mol
Exact Mass489.15
IUPAC NameN-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide
SMILESC=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC(CNC(C)=O)CC2)c1
InChIInChI=1S/C24H28ClN3O4S/c1-3-13-28(23-10-5-4-9-22(23)25)33(31,32)21-8-6-7-20(16-21)24(30)27-14-11-19(12-15-27)17-26-18(2)29/h3-10,16,19H,1,11-15,17H2,2H3,(H,26,29)
InChIKeyGEABSDDXQDVQIG-UHFFFAOYSA-N
XLogP3.71
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.03
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-3-(3-methylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 86878865
N-(2-chlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 38376348
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoate
CID 26888500
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(cyclopropylmethyl)-N-prop-2-ynylbenzamide
CID 71910625
N-(3-butoxypropyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 43002903
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide
CID 119542652
3-[benzyl-(2-chlorophenyl)sulfamoyl]-N-(cyclopropylmethyl)benzamide
CID 30752481
3-[4-(methylaminomethyl)piperidine-1-carbonyl]-N-prop-2-enylbenzenesulfonamide;hydrochloride
CID 119542651
methyl 5-[[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]oxymethyl]furan-2-carboxylate
CID 35836079
N-(5-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzamide
CID 26095075
N-benzyl-N-(2-chlorophenyl)-3-(4-oxopiperidine-1-carbonyl)benzenesulfonamide
CID 17438653
3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 55601956

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide (CID 55781310) is N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide is C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)N2CCC(CNC(C)=O)CC2)c1.
What is the InChIKey of N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is GEABSDDXQDVQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4S/c1-3-13-28(23-10-5-4-9-22(23)25)33(31,32)21-8-6-7-20(16-21)24(30)27-14-11-19(12-15-27)17-26-18(2)29/h3-10,16,19H,1,11-15,17H2,2H3,(H,26,29).
What are the key properties of N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide?
N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 490.03 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-[(2-chlorophenyl)-prop-2-enylsulfamoyl]benzoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 55781310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).