N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide

C21H25Cl2N3O4S — CID 67990189

IUPACN-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
SMILESNN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H25Cl2N3O4S/c22-15-7-12-20(19(23)14-15)30-13-3-6-21(27)25-16-8-10-18(11-9-16)31(28,29)26(24)17-4-1-2-5-17/h7-12,14,17H,1-6,13,24H2,(H,25,27)
InChIKeyAOFHDUYBXSSRKD-UHFFFAOYSA-N
MW486.42 g/mol
LogP4.60
Rot. Bonds9

About N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide

N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide (PubChem CID 67990189) has the molecular formula C21H25Cl2N3O4S and a molecular weight of 486.42 g/mol. Its IUPAC name is N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide.

Molecular Properties

Compound NameN-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
PubChem CID67990189
Molecular FormulaC21H25Cl2N3O4S
Molecular Weight486.42 g/mol
Exact Mass485.09
IUPAC NameN-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
SMILESNN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C21H25Cl2N3O4S/c22-15-7-12-20(19(23)14-15)30-13-3-6-21(27)25-16-8-10-18(11-9-16)31(28,29)26(24)17-4-1-2-5-17/h7-12,14,17H,1-6,13,24H2,(H,25,27)
InChIKeyAOFHDUYBXSSRKD-UHFFFAOYSA-N
XLogP4.60
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.42
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide 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

N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 4777944
4-(2,4-dichlorophenoxy)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 3568718
N-[4-[amino-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide
CID 67990188
methyl N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]sulfonylcarbamate
CID 25120990
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
CID 17235361
2-(2,4-dichlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2500700
N-[3-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]cyclopropanecarboxamide
CID 38324971
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
4-(2,4-dichlorophenoxy)-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32943275
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178

Frequently Asked Questions

What is the IUPAC name of N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
The IUPAC name of N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide (CID 67990189) is N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide.
What is the SMILES notation for N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
The canonical SMILES for N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide is NN(C1CCCC1)S(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
The InChIKey is AOFHDUYBXSSRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N3O4S/c22-15-7-12-20(19(23)14-15)30-13-3-6-21(27)25-16-8-10-18(11-9-16)31(28,29)26(24)17-4-1-2-5-17/h7-12,14,17H,1-6,13,24H2,(H,25,27).
What are the key properties of N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide?
N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide has a molecular weight of 486.42 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[amino(cyclopentyl)sulfamoyl]phenyl]-4-(2,4-dichlorophenoxy)butanamide is sourced from PubChem (CID 67990189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).