N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide

C20H32N2O4S — CID 4841217

IUPACN-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCOc1ccc(C(C)NC(=O)CSCC(=O)N(CC)CC)cc1OCC
InChIInChI=1S/C20H32N2O4S/c1-6-22(7-2)20(24)14-27-13-19(23)21-15(5)16-10-11-17(25-8-3)18(12-16)26-9-4/h10-12,15H,6-9,13-14H2,1-5H3,(H,21,23)
InChIKeyUEDWWTFSVSGGDW-UHFFFAOYSA-N
MW396.55 g/mol
LogP3.26
Rot. Bonds12

About N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide

N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide (PubChem CID 4841217) has the molecular formula C20H32N2O4S and a molecular weight of 396.55 g/mol. Its IUPAC name is N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
PubChem CID4841217
Molecular FormulaC20H32N2O4S
Molecular Weight396.55 g/mol
Exact Mass396.21
IUPAC NameN-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide
SMILESCCOc1ccc(C(C)NC(=O)CSCC(=O)N(CC)CC)cc1OCC
InChIInChI=1S/C20H32N2O4S/c1-6-22(7-2)20(24)14-27-13-19(23)21-15(5)16-10-11-17(25-8-3)18(12-16)26-9-4/h10-12,15H,6-9,13-14H2,1-5H3,(H,21,23)
InChIKeyUEDWWTFSVSGGDW-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.55
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 99950807
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
N-[1-(3,4-diethoxyphenyl)ethyl]pentanamide
CID 78771296
4-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide;hydrochloride
CID 119267799
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-phenylacetamide
CID 7311223
2-(cyclopropylmethylamino)-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide;hydrochloride
CID 119682983
3-(3,4-diethoxyphenyl)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 30389269
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(dimethylamino)-3-hydroxybutanamide
CID 138015146
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3-phenylsulfanylpropanamide
CID 9437337
N-[1-(3,4-diethoxyphenyl)ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119682959

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide (CID 4841217) is N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide is CCOc1ccc(C(C)NC(=O)CSCC(=O)N(CC)CC)cc1OCC.
What is the InChIKey of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is UEDWWTFSVSGGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4S/c1-6-22(7-2)20(24)14-27-13-19(23)21-15(5)16-10-11-17(25-8-3)18(12-16)26-9-4/h10-12,15H,6-9,13-14H2,1-5H3,(H,21,23).
What are the key properties of N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide?
N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 396.55 g/mol, XLogP of 3.26, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-diethoxyphenyl)ethyl]-2-[2-(diethylamino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 4841217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).