N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide

C16H23ClN2O4S — CID 113141390

IUPACN-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCOCC1)CCc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O4S/c1-24(21,22)19(7-5-14-3-2-4-15(17)13-14)8-6-16(20)18-9-11-23-12-10-18/h2-4,13H,5-12H2,1H3
InChIKeyIBZKIOLNTZZTLJ-UHFFFAOYSA-N
MW374.89 g/mol
LogP1.39
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide

N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide (PubChem CID 113141390) has the molecular formula C16H23ClN2O4S and a molecular weight of 374.89 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
PubChem CID113141390
Molecular FormulaC16H23ClN2O4S
Molecular Weight374.89 g/mol
Exact Mass374.11
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCC(=O)N1CCOCC1)CCc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O4S/c1-24(21,22)19(7-5-14-3-2-4-15(17)13-14)8-6-16(20)18-9-11-23-12-10-18/h2-4,13H,5-12H2,1H3
InChIKeyIBZKIOLNTZZTLJ-UHFFFAOYSA-N
XLogP1.39
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.89
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113123192
N-(3-chlorophenyl)-N-(4-morpholin-4-yl-4-oxobutyl)methanesulfonamide
CID 6499007
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]oxane-4-carboxamide
CID 113068395
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)acetamide
CID 113127190
3-(3-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 90586406
N-(4-chlorophenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113143872
N-[2-(4-fluorophenyl)ethyl]-N-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113152017
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
ethyl N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]carbamate
CID 113068392
N-(3-methylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide
CID 113141742

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide (CID 113141390) is N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide is CS(=O)(=O)N(CCC(=O)N1CCOCC1)CCc1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
The InChIKey is IBZKIOLNTZZTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O4S/c1-24(21,22)19(7-5-14-3-2-4-15(17)13-14)8-6-16(20)18-9-11-23-12-10-18/h2-4,13H,5-12H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide?
N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide has a molecular weight of 374.89 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-N-(3-morpholin-4-yl-3-oxopropyl)methanesulfonamide is sourced from PubChem (CID 113141390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).