N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide

C22H27ClN4O5S — CID 142036869

IUPACN-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN4O5S/c1-22(2,15-23)20(28)24-16-7-9-17(10-8-16)26-33(30,31)19-6-4-3-5-18(19)25-21(29)27-11-13-32-14-12-27/h3-10,26H,11-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUNTWZFUQYCYFDM-UHFFFAOYSA-N
MW495.00 g/mol
LogP3.56
Rot. Bonds7

About N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide

N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide (PubChem CID 142036869) has the molecular formula C22H27ClN4O5S and a molecular weight of 495.00 g/mol. Its IUPAC name is N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide
PubChem CID142036869
Molecular FormulaC22H27ClN4O5S
Molecular Weight495.00 g/mol
Exact Mass494.14
IUPAC NameN-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide
SMILESCC(C)(CCl)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2NC(=O)N2CCOCC2)cc1
InChIInChI=1S/C22H27ClN4O5S/c1-22(2,15-23)20(28)24-16-7-9-17(10-8-16)26-33(30,31)19-6-4-3-5-18(19)25-21(29)27-11-13-32-14-12-27/h3-10,26H,11-15H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyUNTWZFUQYCYFDM-UHFFFAOYSA-N
XLogP3.56
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-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-[4-[(2-aminophenyl)sulfonylamino]phenyl]-3-chloro-2,2-dimethylpropanamide
CID 142036795
5-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]naphthalene-1-carboxylic acid
CID 11155424
2,2-dimethyl-N-[4-[[5-(2-morpholin-4-ylethylamino)naphthalen-1-yl]sulfonylamino]phenyl]propanamide
CID 142040370
N-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-morpholin-4-ylacetamide
CID 16623903
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 5224012
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
N-[4-(azepan-1-yl)phenyl]-3-chloro-2,2-dimethylpropanamide
CID 63679380
N-[2-(2-methylbutan-2-yloxymethyl)phenyl]morpholine-4-carboxamide
CID 122141595
3-fluoro-N-[4-[[5-(methanesulfonamido)naphthalen-1-yl]sulfonylamino]phenyl]-2,2-dimethylpropanamide
CID 10141380
2-amino-N-[4-[[5-(4-benzylpiperazin-1-yl)sulfonylnaphthalen-1-yl]sulfonylamino]phenyl]-3-chloro-2-methylpropanamide
CID 142026367
N-(2-fluoro-3-methylphenyl)morpholine-4-carboxamide
CID 166178432
N-(4-methyl-3-sulfamoylphenyl)morpholine-4-carboxamide
CID 78993692

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide (CID 142036869) is N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide is CC(C)(CCl)C(=O)Nc1ccc(NS(=O)(=O)c2ccccc2NC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide?
The InChIKey is UNTWZFUQYCYFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN4O5S/c1-22(2,15-23)20(28)24-16-7-9-17(10-8-16)26-33(30,31)19-6-4-3-5-18(19)25-21(29)27-11-13-32-14-12-27/h3-10,26H,11-15H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide?
N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide has a molecular weight of 495.00 g/mol, XLogP of 3.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[(3-chloro-2,2-dimethylpropanoyl)amino]phenyl]sulfamoyl]phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 142036869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).