2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

C19H27N3O4S — CID 5207383

IUPAC2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C19H27N3O4S/c1-14-12-16(14)19(23)20-17-13-15(4-5-18(17)21-6-2-3-7-21)27(24,25)22-8-10-26-11-9-22/h4-5,13-14,16H,2-3,6-12H2,1H3,(H,20,23)
InChIKeyWXVKBGWYICYKOC-UHFFFAOYSA-N
MW393.51 g/mol
LogP1.90
Rot. Bonds5

About 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide

2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (PubChem CID 5207383) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
PubChem CID5207383
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C19H27N3O4S/c1-14-12-16(14)19(23)20-17-13-15(4-5-18(17)21-6-2-3-7-21)27(24,25)22-8-10-26-11-9-22/h4-5,13-14,16H,2-3,6-12H2,1H3,(H,20,23)
InChIKeyWXVKBGWYICYKOC-UHFFFAOYSA-N
XLogP1.90
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide (CID 5207383) is 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is CC1CC1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
The InChIKey is WXVKBGWYICYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14-12-16(14)19(23)20-17-13-15(4-5-18(17)21-6-2-3-7-21)27(24,25)22-8-10-26-11-9-22/h4-5,13-14,16H,2-3,6-12H2,1H3,(H,20,23).
What are the key properties of 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide?
2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide has a molecular weight of 393.51 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 5207383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).