N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide

C15H23ClN2O3S — CID 113153579

IUPACN-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCC(C)(C)NC(=O)CN(CCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-15(2,3)17-14(19)11-18(22(4,20)21)9-8-12-6-5-7-13(16)10-12/h5-7,10H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyNWYKUDSTKNEIKG-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.06
Rot. Bonds6

About N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide

N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide (PubChem CID 113153579) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
PubChem CID113153579
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide
SMILESCC(C)(C)NC(=O)CN(CCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O3S/c1-15(2,3)17-14(19)11-18(22(4,20)21)9-8-12-6-5-7-13(16)10-12/h5-7,10H,8-9,11H2,1-4H3,(H,17,19)
InChIKeyNWYKUDSTKNEIKG-UHFFFAOYSA-N
XLogP2.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-ethylphenyl)acetamide
CID 113153600
N-(3-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152244
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
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-(2-morpholin-4-yl-2-oxoethyl)methanesulfonamide
CID 113153558
N-tert-butyl-2-[(3-chlorophenyl)methyl-ethylamino]acetamide
CID 78791266
N-tert-butyl-2-[2-(2-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152145
3-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(3-fluorophenyl)propanamide
CID 113141412
N-(4-chlorophenyl)-2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152245

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide (CID 113153579) is N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide is CC(C)(C)NC(=O)CN(CCc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide?
The InChIKey is NWYKUDSTKNEIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-15(2,3)17-14(19)11-18(22(4,20)21)9-8-12-6-5-7-13(16)10-12/h5-7,10H,8-9,11H2,1-4H3,(H,17,19).
What are the key properties of N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide?
N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide has a molecular weight of 346.88 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]acetamide is sourced from PubChem (CID 113153579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).