2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

C21H29Cl2N3O4S — CID 55950772

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1
InChIInChI=1S/C21H29Cl2N3O4S/c1-3-13(4-2)21(28)26-9-7-14(8-10-26)24-20(27)16-11-19(18(23)12-17(16)22)31(29,30)25-15-5-6-15/h11-15,25H,3-10H2,1-2H3,(H,24,27)
InChIKeyJPAMQTLXSHTVAJ-UHFFFAOYSA-N
MW490.45 g/mol
LogP3.59
Rot. Bonds8

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (PubChem CID 55950772) has the molecular formula C21H29Cl2N3O4S and a molecular weight of 490.45 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
PubChem CID55950772
Molecular FormulaC21H29Cl2N3O4S
Molecular Weight490.45 g/mol
Exact Mass489.13
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
SMILESCCC(CC)C(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1
InChIInChI=1S/C21H29Cl2N3O4S/c1-3-13(4-2)21(28)26-9-7-14(8-10-26)24-20(27)16-11-19(18(23)12-17(16)22)31(29,30)25-15-5-6-15/h11-15,25H,3-10H2,1-2H3,(H,24,27)
InChIKeyJPAMQTLXSHTVAJ-UHFFFAOYSA-N
XLogP3.59
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 108554619
2,4-dichloro-N-(1-cyclopropylpiperidin-4-yl)-5-(2-methylpropylsulfamoyl)benzamide
CID 78846793
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-pentylbenzamide
CID 46665692
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2,4-dimethylbenzenesulfonamide
CID 108566141
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 108566166
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(diethylamino)ethyl]benzamide
CID 19257534
4-chloro-3-(diethylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide
CID 55950765
propan-2-yl 2-[[2,4-dichloro-5-(cyclopropylsulfamoyl)benzoyl]amino]acetate
CID 56543666
propan-2-yl 2,4-dichloro-5-(cyclopropylsulfamoyl)benzoate
CID 46574592
N-[1-(2-ethylbutanoyl)piperidin-4-yl]ethanesulfonamide
CID 110820083
N-(4-acetamidophenyl)-2,4-dichloro-5-(cyclopropylsulfamoyl)benzamide
CID 19257569
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393058

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide (CID 55950772) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is CCC(CC)C(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)CC1.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
The InChIKey is JPAMQTLXSHTVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2N3O4S/c1-3-13(4-2)21(28)26-9-7-14(8-10-26)24-20(27)16-11-19(18(23)12-17(16)22)31(29,30)25-15-5-6-15/h11-15,25H,3-10H2,1-2H3,(H,24,27).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide has a molecular weight of 490.45 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[1-(2-ethylbutanoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 55950772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).