N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

C17H22ClN3O4S — CID 55955665

IUPACN-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)n(C)c1
InChIInChI=1S/C17H22ClN3O4S/c1-19-26(23,24)15-11-16(21(3)12-15)17(22)20(2)8-5-9-25-14-7-4-6-13(18)10-14/h4,6-7,10-12,19H,5,8-9H2,1-3H3
InChIKeyDKXHMWJTWDWIEI-UHFFFAOYSA-N
MW399.90 g/mol
LogP2.13
Rot. Bonds8

About N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide

N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (PubChem CID 55955665) has the molecular formula C17H22ClN3O4S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
PubChem CID55955665
Molecular FormulaC17H22ClN3O4S
Molecular Weight399.90 g/mol
Exact Mass399.10
IUPAC NameN-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
SMILESCNS(=O)(=O)c1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)n(C)c1
InChIInChI=1S/C17H22ClN3O4S/c1-19-26(23,24)15-11-16(21(3)12-15)17(22)20(2)8-5-9-25-14-7-4-6-13(18)10-14/h4,6-7,10-12,19H,5,8-9H2,1-3H3
InChIKeyDKXHMWJTWDWIEI-UHFFFAOYSA-N
XLogP2.13
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-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

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 25481584
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
N-[3-(3-chlorophenoxy)propyl]-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 55956047
N-[(3-methoxyphenyl)methyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34376886
5-amino-N-[3-(3-chlorophenoxy)propyl]-N,2-dimethylbenzamide
CID 120624386
N-[2-(3-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 18119830
N-[3-(3-chlorophenoxy)propyl]-N,2,3-trimethylquinoxaline-6-carboxamide
CID 55897423
3-amino-N-[3-(3-chlorophenoxy)propyl]-N-methylpropanamide;hydrochloride
CID 119298305
N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
CID 71853795
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
4-[4-[3-(3-chlorophenoxy)propyl-methylcarbamoyl]phenoxy]benzamide
CID 56549046

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The IUPAC name of N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide (CID 55955665) is N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is CNS(=O)(=O)c1cc(C(=O)N(C)CCCOc2cccc(Cl)c2)n(C)c1.
What is the InChIKey of N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
The InChIKey is DKXHMWJTWDWIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O4S/c1-19-26(23,24)15-11-16(21(3)12-15)17(22)20(2)8-5-9-25-14-7-4-6-13(18)10-14/h4,6-7,10-12,19H,5,8-9H2,1-3H3.
What are the key properties of N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide?
N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenoxy)propyl]-N,1-dimethyl-4-(methylsulfamoyl)pyrrole-2-carboxamide is sourced from PubChem (CID 55955665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).