2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

C19H28N2O4S — CID 25211883

IUPAC2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O4S/c1-13-6-7-14(20-17(22)16-18(2,3)19(16,4)5)12-15(13)26(23,24)21-8-10-25-11-9-21/h6-7,12,16H,8-11H2,1-5H3,(H,20,22)
InChIKeyJUQFVKJYAGSDTL-UHFFFAOYSA-N
MW380.51 g/mol
LogP2.64
Rot. Bonds4

About 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (PubChem CID 25211883) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
PubChem CID25211883
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H28N2O4S/c1-13-6-7-14(20-17(22)16-18(2,3)19(16,4)5)12-15(13)26(23,24)21-8-10-25-11-9-21/h6-7,12,16H,8-11H2,1-5H3,(H,20,22)
InChIKeyJUQFVKJYAGSDTL-UHFFFAOYSA-N
XLogP2.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide (CID 25211883) is 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2C(C)(C)C2(C)C)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
The InChIKey is JUQFVKJYAGSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-13-6-7-14(20-17(22)16-18(2,3)19(16,4)5)12-15(13)26(23,24)21-8-10-25-11-9-21/h6-7,12,16H,8-11H2,1-5H3,(H,20,22).
What are the key properties of 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide has a molecular weight of 380.51 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 25211883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).