N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

C16H26N2O3S — CID 113150859

IUPACN-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(C)CCNC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-13(2)10-11-17-16(19)12-18(22(4,20)21)14(3)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,17,19)
InChIKeyNUJVPAGVGGWHNL-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.17
Rot. Bonds8

About N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide

N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (PubChem CID 113150859) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
PubChem CID113150859
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
SMILESCC(C)CCNC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O
InChIInChI=1S/C16H26N2O3S/c1-13(2)10-11-17-16(19)12-18(22(4,20)21)14(3)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,17,19)
InChIKeyNUJVPAGVGGWHNL-UHFFFAOYSA-N
XLogP2.17
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
N-tert-butyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150856
N-cyclopentyl-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150806
2-(4-methylphenyl)-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]acetamide
CID 113066857
N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]-2-phenoxyacetamide
CID 113066843
N-(5-chloro-2-methylphenyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150897
2-[methylsulfonyl(propan-2-yl)amino]-N-(3-phenylpropyl)acetamide
CID 113147718
N-(5-methyl-1,2-oxazol-3-yl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150936
2-[methylsulfonyl(1-phenylethyl)amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113150910
N-(3-hydroxy-3-phenylpropyl)-2-[methyl(propan-2-yl)amino]acetamide
CID 111471683
4-methyl-N-[2-[methylsulfonyl(1-phenylethyl)amino]ethyl]benzamide
CID 113066828
2-(N-benzylanilino)-N-(3-methylbutyl)acetamide
CID 109005918

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The IUPAC name of N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide (CID 113150859) is N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide.
What is the SMILES notation for N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The canonical SMILES for N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is CC(C)CCNC(=O)CN(C(C)c1ccccc1)S(C)(=O)=O.
What is the InChIKey of N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
The InChIKey is NUJVPAGVGGWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-13(2)10-11-17-16(19)12-18(22(4,20)21)14(3)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,17,19).
What are the key properties of N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide?
N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide is sourced from PubChem (CID 113150859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).