2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide

C24H30ClN3O4S — CID 55476539

IUPAC2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C24H30ClN3O4S/c1-3-27(4-2)23-10-9-17(33(30,31)28-11-13-32-14-12-28)15-22(23)26-24(29)20-16-19(20)18-7-5-6-8-21(18)25/h5-10,15,19-20H,3-4,11-14,16H2,1-2H3,(H,26,29)
InChIKeyZMYJICILQITEBZ-UHFFFAOYSA-N
MW492.04 g/mol
LogP3.95
Rot. Bonds8

About 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide (PubChem CID 55476539) has the molecular formula C24H30ClN3O4S and a molecular weight of 492.04 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide
PubChem CID55476539
Molecular FormulaC24H30ClN3O4S
Molecular Weight492.04 g/mol
Exact Mass491.16
IUPAC Name2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide
SMILESCCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C24H30ClN3O4S/c1-3-27(4-2)23-10-9-17(33(30,31)28-11-13-32-14-12-28)15-22(23)26-24(29)20-16-19(20)18-7-5-6-8-21(18)25/h5-10,15,19-20H,3-4,11-14,16H2,1-2H3,(H,26,29)
InChIKeyZMYJICILQITEBZ-UHFFFAOYSA-N
XLogP3.95
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.04
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 29194893
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013571
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 29431549
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-methylfuran-3-carboxamide
CID 55382027
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-phenylsulfanylpropanamide
CID 46796637
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-methylphenyl)sulfanylacetamide
CID 42965288
2-[cyclopropyl(2-methylpropyl)amino]-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 43061643
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-3-(2-fluorophenyl)propanamide
CID 55363274
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55667278
2-(benzotriazol-1-yl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 55370605
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 30587513

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide (CID 55476539) is 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide is CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide?
The InChIKey is ZMYJICILQITEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O4S/c1-3-27(4-2)23-10-9-17(33(30,31)28-11-13-32-14-12-28)15-22(23)26-24(29)20-16-19(20)18-7-5-6-8-21(18)25/h5-10,15,19-20H,3-4,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide has a molecular weight of 492.04 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55476539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).