[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

C18H16N2O5S — CID 17397689

IUPAC[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H16N2O5S/c1-10(16(22)20-17-13(15(19)21)6-7-26-17)25-18(23)12-8-11-4-2-3-5-14(11)24-9-12/h2-8,10H,9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyXSWAXNXQPODCST-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.19
Rot. Bonds5

About [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (PubChem CID 17397689) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
PubChem CID17397689
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
SMILESCC(OC(=O)C1=Cc2ccccc2OC1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H16N2O5S/c1-10(16(22)20-17-13(15(19)21)6-7-26-17)25-18(23)12-8-11-4-2-3-5-14(11)24-9-12/h2-8,10H,9H2,1H3,(H2,19,21)(H,20,22)
InChIKeyXSWAXNXQPODCST-UHFFFAOYSA-N
XLogP2.19
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745614
[(2S)-1-amino-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745641
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2H-chromene-3-carboxylate
CID 8744452
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
[(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2H-chromene-3-carboxylate
CID 8742766
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 41013599
[(2R)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8745271
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8743997
[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744007
[(2S)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8742525
[(2S)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate
CID 8744847

Frequently Asked Questions

What is the IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate (CID 17397689) is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate.
What is the SMILES notation for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The canonical SMILES for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is CC(OC(=O)C1=Cc2ccccc2OC1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
The InChIKey is XSWAXNXQPODCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O5S/c1-10(16(22)20-17-13(15(19)21)6-7-26-17)25-18(23)12-8-11-4-2-3-5-14(11)24-9-12/h2-8,10H,9H2,1H3,(H2,19,21)(H,20,22).
What are the key properties of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate?
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2H-chromene-3-carboxylate is sourced from PubChem (CID 17397689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).