(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide

C16H23N3O4S — CID 8752422

IUPAC(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CSCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H23N3O4S/c1-4-17-16(22)11(2)18-14(20)9-24-10-15(21)19-12-5-7-13(23-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeySQPLJNAAFIJOHL-LLVKDONJSA-N
MW353.44 g/mol
LogP1.01
Rot. Bonds9

About (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide

(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide (PubChem CID 8752422) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide
PubChem CID8752422
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide
SMILESCCNC(=O)[C@@H](C)NC(=O)CSCC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C16H23N3O4S/c1-4-17-16(22)11(2)18-14(20)9-24-10-15(21)19-12-5-7-13(23-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)/t11-/m1/s1
InChIKeySQPLJNAAFIJOHL-LLVKDONJSA-N
XLogP1.01
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide with MolForge

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Related Compounds

2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 7746783
N-(4-methoxyphenyl)-2-[2-(4-methylsulfanylanilino)-2-oxoethyl]sulfanylacetamide
CID 27365283
2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetic acid
CID 787659
2-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55336071
2-(3-amino-2-methylpropyl)sulfanyl-N-(4-methoxyphenyl)acetamide
CID 66225221
2-[2-[1-(2-methoxy-5-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 55394981
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[2-(4-chloroanilino)-2-oxoethyl]sulfanylacetate
CID 8603313
2-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide
CID 9368153
N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 9458134
N-(4-methoxyphenyl)-2-[2-[2-[[(2S)-1-methoxypropan-2-yl]carbamothioyl]hydrazinyl]-2-oxoethyl]sulfanylacetamide
CID 9477823
2-(ethylamino)-N-(4-methoxyphenyl)acetamide
CID 2113294
N-(4-methoxyphenyl)-2-(3-oxobutan-2-ylsulfanyl)acetamide
CID 3359591

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide (CID 8752422) is (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide is CCNC(=O)[C@@H](C)NC(=O)CSCC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide?
The InChIKey is SQPLJNAAFIJOHL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-4-17-16(22)11(2)18-14(20)9-24-10-15(21)19-12-5-7-13(23-3)8-6-12/h5-8,11H,4,9-10H2,1-3H3,(H,17,22)(H,18,20)(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide?
(2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide has a molecular weight of 353.44 g/mol, XLogP of 1.01, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[[2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetyl]amino]propanamide is sourced from PubChem (CID 8752422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).