N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide

C14H21ClN2O3S — CID 113147731

IUPACN-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)NCCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)17(21(3,19)20)10-14(18)16-8-7-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyGKEYXPRUDAHDOE-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.67
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide

N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide (PubChem CID 113147731) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
PubChem CID113147731
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
SMILESCC(C)N(CC(=O)NCCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(2)17(21(3,19)20)10-14(18)16-8-7-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,18)
InChIKeyGKEYXPRUDAHDOE-UHFFFAOYSA-N
XLogP1.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147701
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 113137081
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113153556
2-[(3-chlorophenyl)methyl-propan-2-ylamino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 60513164
N-[2-(3-chlorophenyl)ethyl]-2-(propan-2-ylcarbamoylamino)acetamide
CID 112995856
3-[2-(3-chlorophenyl)ethyl]-1,1-bis(2-methylpropyl)urea
CID 108901489
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide (CID 113147731) is N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide is CC(C)N(CC(=O)NCCc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
The InChIKey is GKEYXPRUDAHDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(2)17(21(3,19)20)10-14(18)16-8-7-12-5-4-6-13(15)9-12/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide?
N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide has a molecular weight of 332.85 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide is sourced from PubChem (CID 113147731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).