2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

C17H25N3O3S — CID 55874865

IUPAC2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)C(C)Sc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H25N3O3S/c1-5-18-16(22)11-20(6-2)17(23)12(3)24-15-9-7-14(8-10-15)19-13(4)21/h7-10,12H,5-6,11H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyXJWWZOMNBJBDGR-UHFFFAOYSA-N
MW351.47 g/mol
LogP2.11
Rot. Bonds8

About 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 55874865) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID55874865
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)C(C)Sc1ccc(NC(C)=O)cc1
InChIInChI=1S/C17H25N3O3S/c1-5-18-16(22)11-20(6-2)17(23)12(3)24-15-9-7-14(8-10-15)19-13(4)21/h7-10,12H,5-6,11H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyXJWWZOMNBJBDGR-UHFFFAOYSA-N
XLogP2.11
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 87025690
2-(4-acetamidophenyl)sulfanyl-N-ethylacetamide
CID 35964472
(2S)-N,N-diethyl-2-phenylsulfanylpropanamide
CID 39073889
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-ethyl-2-(4-nitrophenyl)sulfanylpropanamide
CID 134061563
N-ethyl-2-[ethyl-[(4-fluorophenyl)carbamothioyl]amino]acetamide
CID 9213542
(2S)-2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-ethylpropanamide
CID 8791504
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
2-(4-acetamidophenyl)sulfanyl-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119824897
(2R)-2-(4-acetamidophenyl)sulfanyl-N-[4-(dimethylamino)phenyl]propanamide
CID 2093262
N-[2-(4-acetamidoanilino)-2-oxoethyl]-N-ethylbenzamide
CID 18077820
(2S)-2-(4-acetamidophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 9452084
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 55874865) is 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CN(CC)C(=O)C(C)Sc1ccc(NC(C)=O)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is XJWWZOMNBJBDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-5-18-16(22)11-20(6-2)17(23)12(3)24-15-9-7-14(8-10-15)19-13(4)21/h7-10,12H,5-6,11H2,1-4H3,(H,18,22)(H,19,21).
What are the key properties of 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 351.47 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)sulfanyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 55874865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).