1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide

C21H25N3O5S — CID 50822392

IUPAC1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C21H25N3O5S/c1-15(25)23-17-7-9-19(10-8-17)30(27,28)24-18-5-3-16(4-6-18)21(11-12-21)20(26)22-13-14-29-2/h3-10,24H,11-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOBVLHRSKKAVMBW-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.24
Rot. Bonds9

About 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide

1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide (PubChem CID 50822392) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
PubChem CID50822392
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
SMILESCOCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1
InChIInChI=1S/C21H25N3O5S/c1-15(25)23-17-7-9-19(10-8-17)30(27,28)24-18-5-3-16(4-6-18)21(11-12-21)20(26)22-13-14-29-2/h3-10,24H,11-14H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOBVLHRSKKAVMBW-UHFFFAOYSA-N
XLogP2.24
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide 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

1-(4-acetamidophenyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821434
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062147
N-(2-methoxyethyl)-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822214
1-[4-[(3-chloro-4-methylphenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50822330
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062034
N-(2-methoxyethyl)-1-[4-(thiophen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378235
1-[4-(benzenesulfonamido)phenyl]-N-(3-methoxypropyl)cyclobutane-1-carboxamide
CID 50827004
1-[4-[[4-(propanoylamino)phenyl]sulfonylamino]phenyl]-N-propylcyclopropane-1-carboxamide
CID 50822228
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(3-methoxypropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062143
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-benzylcyclobutane-1-carboxamide
CID 50827100
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880180
1-[4-(cyclopropanecarbonylamino)phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 50821436

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide (CID 50822392) is 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide is COCCNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
The InChIKey is OBVLHRSKKAVMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15(25)23-17-7-9-19(10-8-17)30(27,28)24-18-5-3-16(4-6-18)21(11-12-21)20(26)22-13-14-29-2/h3-10,24H,11-14H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide?
1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide has a molecular weight of 431.51 g/mol, XLogP of 2.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetamidophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 50822392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).