[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

C17H19N4O5S+ — CID 9381110

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccc[nH+]c1N1CCOCC1
InChIInChI=1S/C17H18N4O5S/c18-14(23)11-3-9-27-16(11)20-13(22)10-26-17(24)12-2-1-4-19-15(12)21-5-7-25-8-6-21/h1-4,9H,5-8,10H2,(H2,18,23)(H,20,22)/p+1
InChIKeyMMKCCZMSGRDCAU-UHFFFAOYSA-O
MW391.43 g/mol
LogP0.29
Rot. Bonds6

About [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate (PubChem CID 9381110) has the molecular formula C17H19N4O5S+ and a molecular weight of 391.43 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate
PubChem CID9381110
Molecular FormulaC17H19N4O5S+
Molecular Weight391.43 g/mol
Exact Mass391.11
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)c1ccc[nH+]c1N1CCOCC1
InChIInChI=1S/C17H18N4O5S/c18-14(23)11-3-9-27-16(11)20-13(22)10-26-17(24)12-2-1-4-19-15(12)21-5-7-25-8-6-21/h1-4,9H,5-8,10H2,(H2,18,23)(H,20,22)/p+1
InChIKeyMMKCCZMSGRDCAU-UHFFFAOYSA-O
XLogP0.29
TPSA125.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate with MolForge

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Related Compounds

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-phenylbenzoate
CID 7554569
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 9381121
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetate
CID 4785072
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-iodobenzoate
CID 3513023
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(2-oxopyrrolidin-1-yl)acetate
CID 30338848
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-pyrrolidin-1-ylpyridin-1-ium-3-carboxylate
CID 8776758
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 4830446
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 3-piperidin-1-ylsulfonylbenzoate
CID 16521918
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-bromo-2-chlorobenzoate
CID 16524597
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587001
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 5-chloro-2-hydroxybenzoate
CID 8604149
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2,4,5-trimethylfuran-3-carboxylate
CID 9453608

Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate (CID 9381110) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate is NC(=O)c1ccsc1NC(=O)COC(=O)c1ccc[nH+]c1N1CCOCC1.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate?
The InChIKey is MMKCCZMSGRDCAU-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H18N4O5S/c18-14(23)11-3-9-27-16(11)20-13(22)10-26-17(24)12-2-1-4-19-15(12)21-5-7-25-8-6-21/h1-4,9H,5-8,10H2,(H2,18,23)(H,20,22)/p+1.
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate has a molecular weight of 391.43 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-morpholin-4-ylpyridin-1-ium-3-carboxylate is sourced from PubChem (CID 9381110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).