N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

C18H19N3O3S — CID 71788706

IUPACN'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCn1cc(C(O)CNC(=O)C(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C18H19N3O3S/c1-21-11-14(13-6-2-3-7-15(13)21)16(22)10-20-18(24)17(23)19-9-12-5-4-8-25-12/h2-8,11,16,22H,9-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyBSGQYUXBVCSTFZ-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.71
Rot. Bonds5

About N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide

N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (PubChem CID 71788706) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
PubChem CID71788706
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide
SMILESCn1cc(C(O)CNC(=O)C(=O)NCc2cccs2)c2ccccc21
InChIInChI=1S/C18H19N3O3S/c1-21-11-14(13-6-2-3-7-15(13)21)16(22)10-20-18(24)17(23)19-9-12-5-4-8-25-12/h2-8,11,16,22H,9-10H2,1H3,(H,19,23)(H,20,24)
InChIKeyBSGQYUXBVCSTFZ-UHFFFAOYSA-N
XLogP1.71
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide (CID 71788706) is N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is Cn1cc(C(O)CNC(=O)C(=O)NCc2cccs2)c2ccccc21.
What is the InChIKey of N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
The InChIKey is BSGQYUXBVCSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-21-11-14(13-6-2-3-7-15(13)21)16(22)10-20-18(24)17(23)19-9-12-5-4-8-25-12/h2-8,11,16,22H,9-10H2,1H3,(H,19,23)(H,20,24).
What are the key properties of N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide?
N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide has a molecular weight of 357.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-hydroxy-2-(1-methylindol-3-yl)ethyl]-N-(thiophen-2-ylmethyl)oxamide is sourced from PubChem (CID 71788706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).