1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

C21H23ClN2O5S — CID 39991041

IUPAC1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN2O5S/c1-28-19-6-5-17(30(26,27)24-9-11-29-12-10-24)14-18(19)23-20(25)21(7-8-21)15-3-2-4-16(22)13-15/h2-6,13-14H,7-12H2,1H3,(H,23,25)
InChIKeyXWSDISRYDKKIHT-UHFFFAOYSA-N
MW450.94 g/mol
LogP3.04
Rot. Bonds6

About 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 39991041) has the molecular formula C21H23ClN2O5S and a molecular weight of 450.94 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID39991041
Molecular FormulaC21H23ClN2O5S
Molecular Weight450.94 g/mol
Exact Mass450.10
IUPAC Name1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(Cl)c2)CC1
InChIInChI=1S/C21H23ClN2O5S/c1-28-19-6-5-17(30(26,27)24-9-11-29-12-10-24)14-18(19)23-20(25)21(7-8-21)15-3-2-4-16(22)13-15/h2-6,13-14H,7-12H2,1H3,(H,23,25)
InChIKeyXWSDISRYDKKIHT-UHFFFAOYSA-N
XLogP3.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-1-phenylcyclopropane-1-carboxamide
CID 55329459
N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 30669639
2-(2-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 15944808
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylpropanamide
CID 8746778
2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16547841
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-methylsulfanylacetamide
CID 8746733
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(3-methoxyphenyl)acetamide
CID 7998229
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4852011
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43892727
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylacetamide
CID 26065527
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2,2-diphenylacetamide
CID 3594308
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 43898486

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (CID 39991041) is 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is XWSDISRYDKKIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5S/c1-28-19-6-5-17(30(26,27)24-9-11-29-12-10-24)14-18(19)23-20(25)21(7-8-21)15-3-2-4-16(22)13-15/h2-6,13-14H,7-12H2,1H3,(H,23,25).
What are the key properties of 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 450.94 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 39991041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).