2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide

C19H27Cl2N3O4S — CID 43004744

IUPAC2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C19H27Cl2N3O4S/c1-4-23(5-2)16-7-6-14(29(26,27)24-8-10-28-11-9-24)12-15(16)22-17(25)18(3)13-19(18,20)21/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,22,25)
InChIKeyLTZSEROEYSPRRT-UHFFFAOYSA-N
MW464.42 g/mol
LogP3.08
Rot. Bonds7

About 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 43004744) has the molecular formula C19H27Cl2N3O4S and a molecular weight of 464.42 g/mol. Its IUPAC name is 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
PubChem CID43004744
Molecular FormulaC19H27Cl2N3O4S
Molecular Weight464.42 g/mol
Exact Mass463.11
IUPAC Name2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C19H27Cl2N3O4S/c1-4-23(5-2)16-7-6-14(29(26,27)24-8-10-28-11-9-24)12-15(16)22-17(25)18(3)13-19(18,20)21/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,22,25)
InChIKeyLTZSEROEYSPRRT-UHFFFAOYSA-N
XLogP3.08
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-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

2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylfuran-3-carboxamide
CID 55382027
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(4-methylphenoxy)acetamide
CID 30587504
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide
CID 55476539
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-4-propan-2-yloxybenzamide
CID 29169143
2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide
CID 43035130
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013571
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
2-[cyclopropyl(2-methylpropyl)amino]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 43061643

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide (CID 43004744) is 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is LTZSEROEYSPRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27Cl2N3O4S/c1-4-23(5-2)16-7-6-14(29(26,27)24-8-10-28-11-9-24)12-15(16)22-17(25)18(3)13-19(18,20)21/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,22,25).
What are the key properties of 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 464.42 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43004744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).