3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide

C16H25ClN2O3S — CID 113137081

IUPAC3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESCCC(C)N(CCC(=O)NCCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-4-13(2)19(23(3,21)22)11-9-16(20)18-10-8-14-6-5-7-15(17)12-14/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,20)
InChIKeyPDAGXOSLLMXHJY-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.45
Rot. Bonds9

About 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide

3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide (PubChem CID 113137081) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
PubChem CID113137081
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
SMILESCCC(C)N(CCC(=O)NCCc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O3S/c1-4-13(2)19(23(3,21)22)11-9-16(20)18-10-8-14-6-5-7-15(17)12-14/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,20)
InChIKeyPDAGXOSLLMXHJY-UHFFFAOYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-[methylsulfonyl(propan-2-yl)amino]acetamide
CID 113147731
3-[methylsulfonyl(propan-2-yl)amino]-N-(2-phenylethyl)propanamide
CID 113136085
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]-N-(2-phenylethyl)acetamide
CID 113153577
N-[2-(3-chlorophenyl)ethyl]-2-methylpropanamide
CID 4249207
3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-[2-(3-chlorophenyl)ethyl]-2-[2-methoxyethyl(methylsulfonyl)amino]acetamide
CID 113149307
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 113137172
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113143798
N-[2-(3-chlorophenyl)ethyl]-3-(3,5-dimethylanilino)propanamide
CID 109033211
3-(benzenesulfonyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 32816816

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide (CID 113137081) is 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide is CCC(C)N(CCC(=O)NCCc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide?
The InChIKey is PDAGXOSLLMXHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O3S/c1-4-13(2)19(23(3,21)22)11-9-16(20)18-10-8-14-6-5-7-15(17)12-14/h5-7,12-13H,4,8-11H2,1-3H3,(H,18,20).
What are the key properties of 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide?
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide has a molecular weight of 360.91 g/mol, XLogP of 2.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 113137081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).