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

C17H15N3O4S — CID 7960162

IUPAC[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O4S/c18-16(23)12-5-6-25-17(12)20-14(21)9-24-15(22)7-10-8-19-13-4-2-1-3-11(10)13/h1-6,8,19H,7,9H2,(H2,18,23)(H,20,21)
InChIKeyZCPMDMZZWWHGEQ-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.05
Rot. Bonds6

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

[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (PubChem CID 7960162) has the molecular formula C17H15N3O4S and a molecular weight of 357.39 g/mol. Its IUPAC name is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
PubChem CID7960162
Molecular FormulaC17H15N3O4S
Molecular Weight357.39 g/mol
Exact Mass357.08
IUPAC Name[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
SMILESNC(=O)c1ccsc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C17H15N3O4S/c18-16(23)12-5-6-25-17(12)20-14(21)9-24-15(22)7-10-8-19-13-4-2-1-3-11(10)13/h1-6,8,19H,7,9H2,(H2,18,23)(H,20,21)
InChIKeyZCPMDMZZWWHGEQ-UHFFFAOYSA-N
XLogP2.05
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The IUPAC name of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate (CID 7960162) is [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The canonical SMILES for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is NC(=O)c1ccsc1NC(=O)COC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
The InChIKey is ZCPMDMZZWWHGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4S/c18-16(23)12-5-6-25-17(12)20-14(21)9-24-15(22)7-10-8-19-13-4-2-1-3-11(10)13/h1-6,8,19H,7,9H2,(H2,18,23)(H,20,21).
What are the key properties of [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate?
[2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate has a molecular weight of 357.39 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-carbamoylthiophen-2-yl)amino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7960162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).