N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide

C15H20N2O3S — CID 118700307

IUPACN-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide
SMILESCNC(CSCC(=O)Nc1ccc(C(C)=O)cc1)C(C)=O
InChIInChI=1S/C15H20N2O3S/c1-10(18)12-4-6-13(7-5-12)17-15(20)9-21-8-14(16-3)11(2)19/h4-7,14,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyXKYZSYHHBGGOIP-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.74
Rot. Bonds8

About N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide

N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide (PubChem CID 118700307) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide
PubChem CID118700307
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC NameN-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide
SMILESCNC(CSCC(=O)Nc1ccc(C(C)=O)cc1)C(C)=O
InChIInChI=1S/C15H20N2O3S/c1-10(18)12-4-6-13(7-5-12)17-15(20)9-21-8-14(16-3)11(2)19/h4-7,14,16H,8-9H2,1-3H3,(H,17,20)
InChIKeyXKYZSYHHBGGOIP-UHFFFAOYSA-N
XLogP1.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 64914068
N-(4-acetylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66104887
N-(4-acetylphenyl)-2-[2-(4-bromoanilino)-2-oxoethyl]sulfanylacetamide
CID 5085970
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
N-(4-iodophenyl)-2-(2-methylpropylsulfanyl)acetamide
CID 112779393
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
N-(4-acetylphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689025
3-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64915481
N-(4-acetylphenyl)-4-(methylamino)butanamide
CID 61258439
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
[2-(4-acetylanilino)-2-oxoethyl] N,N-diethylcarbamodithioate
CID 2289708

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide (CID 118700307) is N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide is CNC(CSCC(=O)Nc1ccc(C(C)=O)cc1)C(C)=O.
What is the InChIKey of N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide?
The InChIKey is XKYZSYHHBGGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c1-10(18)12-4-6-13(7-5-12)17-15(20)9-21-8-14(16-3)11(2)19/h4-7,14,16H,8-9H2,1-3H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide?
N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide has a molecular weight of 308.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[2-(methylamino)-3-oxobutyl]sulfanylacetamide is sourced from PubChem (CID 118700307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).