[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate

C18H17N3O5S — CID 55546376

IUPAC[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OC(C)C(=O)Nc3sccc3C(N)=O)[nH]c2c1
InChIInChI=1S/C18H17N3O5S/c1-9(16(23)21-17-12(15(19)22)5-6-27-17)26-18(24)14-7-10-3-4-11(25-2)8-13(10)20-14/h3-9,20H,1-2H3,(H2,19,22)(H,21,23)
InChIKeyQSHLIJRGQLNVOM-UHFFFAOYSA-N
MW387.42 g/mol
LogP2.52
Rot. Bonds6

About [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate (PubChem CID 55546376) has the molecular formula C18H17N3O5S and a molecular weight of 387.42 g/mol. Its IUPAC name is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
PubChem CID55546376
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
SMILESCOc1ccc2cc(C(=O)OC(C)C(=O)Nc3sccc3C(N)=O)[nH]c2c1
InChIInChI=1S/C18H17N3O5S/c1-9(16(23)21-17-12(15(19)22)5-6-27-17)26-18(24)14-7-10-3-4-11(25-2)8-13(10)20-14/h3-9,20H,1-2H3,(H2,19,22)(H,21,23)
InChIKeyQSHLIJRGQLNVOM-UHFFFAOYSA-N
XLogP2.52
TPSA123.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-methoxybenzoate
CID 41259825
[1-(4-nitroanilino)-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate
CID 55547042
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dimethyl-1,3-thiazole-5-carboxylate
CID 17392568
2-[[(2R)-2-(4-methoxyphenyl)sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 27971673
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958451
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 9310120
[(2R)-1-(2,5-dimethoxyanilino)-1-oxopropan-2-yl] 1H-indole-2-carboxylate
CID 9110410
2-[[(2S)-2-(4-methoxy-2-nitrophenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 8886770
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 43014617
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985455

Frequently Asked Questions

What is the IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate?
The IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate (CID 55546376) is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate is COc1ccc2cc(C(=O)OC(C)C(=O)Nc3sccc3C(N)=O)[nH]c2c1.
What is the InChIKey of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate?
The InChIKey is QSHLIJRGQLNVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-9(16(23)21-17-12(15(19)22)5-6-27-17)26-18(24)14-7-10-3-4-11(25-2)8-13(10)20-14/h3-9,20H,1-2H3,(H2,19,22)(H,21,23).
What are the key properties of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate?
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 6-methoxy-1H-indole-2-carboxylate has a molecular weight of 387.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 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] 6-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 55546376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).