[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate

C18H17N3O4S — CID 47011526

IUPAC[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESCC(OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H17N3O4S/c1-10(17(24)21-18-13(16(19)23)6-7-26-18)25-15(22)8-11-9-20-14-5-3-2-4-12(11)14/h2-7,9-10,20H,8H2,1H3,(H2,19,23)(H,21,24)
InChIKeyNDJAXNDFDJJFIL-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.44
Rot. Bonds6

About [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate (PubChem CID 47011526) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
PubChem CID47011526
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
SMILESCC(OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C18H17N3O4S/c1-10(17(24)21-18-13(16(19)23)6-7-26-18)25-15(22)8-11-9-20-14-5-3-2-4-12(11)14/h2-7,9-10,20H,8H2,1H3,(H2,19,23)(H,21,24)
InChIKeyNDJAXNDFDJJFIL-UHFFFAOYSA-N
XLogP2.44
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate with MolForge

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Related Compounds

[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] naphthalene-1-carboxylate
CID 41090633
[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7664829
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960222
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] benzoate
CID 25387908
[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960233
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 8977664
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 55420776
[(2S)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-chlorobenzoate
CID 40820884
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7259091
[(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 7960224
[(2S)-1-oxo-1-phenylpropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 40616153
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 46658984

Frequently Asked Questions

What is the IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate (CID 47011526) is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate is CC(OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
The InChIKey is NDJAXNDFDJJFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-10(17(24)21-18-13(16(19)23)6-7-26-18)25-15(22)8-11-9-20-14-5-3-2-4-12(11)14/h2-7,9-10,20H,8H2,1H3,(H2,19,23)(H,21,24).
What are the key properties of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate?
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate has a molecular weight of 371.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 47011526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).