N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide

C18H28N2O3S — CID 35363009

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCSc1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3S/c1-6-20(13-16(21)19-18(2,3)4)17(22)11-12-24-15-9-7-14(23-5)8-10-15/h7-10H,6,11-13H2,1-5H3,(H,19,21)
InChIKeyUHTVJLMLYUJHLP-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.94
Rot. Bonds8

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide (PubChem CID 35363009) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide
PubChem CID35363009
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CCSc1ccc(OC)cc1
InChIInChI=1S/C18H28N2O3S/c1-6-20(13-16(21)19-18(2,3)4)17(22)11-12-24-15-9-7-14(23-5)8-10-15/h7-10H,6,11-13H2,1-5H3,(H,19,21)
InChIKeyUHTVJLMLYUJHLP-UHFFFAOYSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[3-(4-methoxyphenyl)sulfanylpropanoyl]amino]acetic acid
CID 119205945
methyl 2-[ethyl(3-phenylsulfanylpropanoyl)amino]acetate
CID 54979234
2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetic acid
CID 54900940
N-(1-amino-2-methylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide;hydrochloride
CID 119521442
N-tert-butyl-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 132616322
3-[3-(4-methoxyphenyl)sulfanylpropanoyl-methylamino]propanoic acid
CID 119232616
N-tert-butyl-2-[3-(4-chlorophenyl)sulfanylpropanoyl-[(4-methoxyphenyl)methyl]amino]propanamide
CID 132720364
4-(4-methoxyphenyl)sulfanylbutan-2-one
CID 11789059
N-tert-butyl-2-[(4-methoxyphenyl)methyl-(3-phenylsulfanylpropanoyl)amino]butanamide
CID 132612002
2-[ethyl-[3-(4-fluorophenyl)sulfanylpropanoyl]amino]acetic acid
CID 61021149
N-(5-chloro-2-methylphenyl)-2-[ethyl-[2-(4-methoxyphenyl)sulfanylacetyl]amino]acetamide
CID 8908053
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(4-methoxyphenyl)sulfanylpropanamide
CID 119572330

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide (CID 35363009) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide is CCN(CC(=O)NC(C)(C)C)C(=O)CCSc1ccc(OC)cc1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide?
The InChIKey is UHTVJLMLYUJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-6-20(13-16(21)19-18(2,3)4)17(22)11-12-24-15-9-7-14(23-5)8-10-15/h7-10H,6,11-13H2,1-5H3,(H,19,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide has a molecular weight of 352.50 g/mol, XLogP of 2.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-3-(4-methoxyphenyl)sulfanylpropanamide is sourced from PubChem (CID 35363009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).