2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid

C14H18N2O4S — CID 2813228

IUPAC2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c17-13(9-21-10-14(18)19)15-11-3-1-2-4-12(11)16-5-7-20-8-6-16/h1-4H,5-10H2,(H,15,17)(H,18,19)
InChIKeyFWMJCWQEOCMQQA-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.28
Rot. Bonds6

About 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid

2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid (PubChem CID 2813228) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
PubChem CID2813228
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
SMILESO=C(O)CSCC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C14H18N2O4S/c17-13(9-21-10-14(18)19)15-11-3-1-2-4-12(11)16-5-7-20-8-6-16/h1-4H,5-10H2,(H,15,17)(H,18,19)
InChIKeyFWMJCWQEOCMQQA-UHFFFAOYSA-N
XLogP1.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)acetamide
CID 55343273
2-bromo-N-(2-morpholin-4-ylphenyl)acetamide
CID 60650852
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
3,3-dimethyl-5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
CID 2813229
N-(2,4-dimorpholin-4-ylphenyl)-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 24648015
2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 4798116
2-[1-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]cyclopentyl]acetic acid
CID 2813232
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
(3S)-N-(2-morpholin-4-ylphenyl)-3-phenylbutanamide
CID 8005269
2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583413

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid?
The IUPAC name of 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid (CID 2813228) is 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid.
What is the SMILES notation for 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid?
The canonical SMILES for 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid is O=C(O)CSCC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid?
The InChIKey is FWMJCWQEOCMQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c17-13(9-21-10-14(18)19)15-11-3-1-2-4-12(11)16-5-7-20-8-6-16/h1-4H,5-10H2,(H,15,17)(H,18,19).
What are the key properties of 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid?
2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid has a molecular weight of 310.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-morpholin-4-ylanilino)-2-oxoethyl]sulfanylacetic acid is sourced from PubChem (CID 2813228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).