2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide

C17H26N2O3S — CID 95596907

IUPAC2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)CCOc1ccc([C@@H](C)NC(=O)CSCC(N)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-12(2)8-9-22-15-6-4-14(5-7-15)13(3)19-17(21)11-23-10-16(18)20/h4-7,12-13H,8-11H2,1-3H3,(H2,18,20)(H,19,21)/t13-/m1/s1
InChIKeyVAMSFHPPLZBLBH-CYBMUJFWSA-N
MW338.47 g/mol
LogP2.51
Rot. Bonds10

About 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide

2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide (PubChem CID 95596907) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
PubChem CID95596907
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide
SMILESCC(C)CCOc1ccc([C@@H](C)NC(=O)CSCC(N)=O)cc1
InChIInChI=1S/C17H26N2O3S/c1-12(2)8-9-22-15-6-4-14(5-7-15)13(3)19-17(21)11-23-10-16(18)20/h4-7,12-13H,8-11H2,1-3H3,(H2,18,20)(H,19,21)/t13-/m1/s1
InChIKeyVAMSFHPPLZBLBH-CYBMUJFWSA-N
XLogP2.51
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]acetamide
CID 119311263
2-[2-oxo-2-[1-(4-phenoxyphenyl)ethylamino]ethyl]sulfanylacetamide
CID 56822670
(2S)-2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]propanamide
CID 119311259
2-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]sulfanylacetamide
CID 47030874
2-amino-N-[1-[4-(3-methylbutoxy)phenyl]ethyl]pentanamide
CID 119311275
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-[2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetamide
CID 86877255
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
N-[1-[4-(3-methylbutoxy)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119938284
4-amino-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]pentanamide;hydrochloride
CID 120563845
3-(4-ethylphenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 108795767
N-[(1S)-1-(4-ethoxyphenyl)ethyl]-2-phenylsulfanylacetamide
CID 28954114

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The IUPAC name of 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide (CID 95596907) is 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide is CC(C)CCOc1ccc([C@@H](C)NC(=O)CSCC(N)=O)cc1.
What is the InChIKey of 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide?
The InChIKey is VAMSFHPPLZBLBH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12(2)8-9-22-15-6-4-14(5-7-15)13(3)19-17(21)11-23-10-16(18)20/h4-7,12-13H,8-11H2,1-3H3,(H2,18,20)(H,19,21)/t13-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide?
2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide has a molecular weight of 338.47 g/mol, XLogP of 2.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-[4-(3-methylbutoxy)phenyl]ethyl]amino]-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 95596907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).