N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide

C17H25ClN2O4S — CID 113068395

IUPACN-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCOCC1)CCc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O4S/c1-25(22,23)20(9-5-14-3-2-4-16(18)13-14)10-8-19-17(21)15-6-11-24-12-7-15/h2-4,13,15H,5-12H2,1H3,(H,19,21)
InChIKeyOIRUNMJASBVHQN-UHFFFAOYSA-N
MW388.92 g/mol
LogP1.69
Rot. Bonds8

About N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide

N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide (PubChem CID 113068395) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
PubChem CID113068395
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC NameN-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
SMILESCS(=O)(=O)N(CCNC(=O)C1CCOCC1)CCc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O4S/c1-25(22,23)20(9-5-14-3-2-4-16(18)13-14)10-8-19-17(21)15-6-11-24-12-7-15/h2-4,13,15H,5-12H2,1H3,(H,19,21)
InChIKeyOIRUNMJASBVHQN-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141390
N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
N-[2-[(4-methoxyphenyl)methyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113067193
N-[2-[methylsulfonyl(2-phenylethyl)amino]ethyl]oxolane-2-carboxamide
CID 113067492
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
CID 113153579
4-N-butyl-1-N-[2-(3-chlorophenyl)ethyl]-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149906
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
The IUPAC name of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide (CID 113068395) is N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide is CS(=O)(=O)N(CCNC(=O)C1CCOCC1)CCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
The InChIKey is OIRUNMJASBVHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-25(22,23)20(9-5-14-3-2-4-16(18)13-14)10-8-19-17(21)15-6-11-24-12-7-15/h2-4,13,15H,5-12H2,1H3,(H,19,21).
What are the key properties of N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide?
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide has a molecular weight of 388.92 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide is sourced from PubChem (CID 113068395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).