N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide

C17H20N2O2S — CID 18107541

IUPACN-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H20N2O2S/c1-13(9-10-14-6-3-2-4-7-14)19-16(20)12-18-17(21)15-8-5-11-22-15/h2-8,11,13H,9-10,12H2,1H3,(H,18,21)(H,19,20)
InChIKeyPUTLIVZLQLNQOF-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.62
Rot. Bonds7

About N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide

N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide (PubChem CID 18107541) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
PubChem CID18107541
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide
SMILESCC(CCc1ccccc1)NC(=O)CNC(=O)c1cccs1
InChIInChI=1S/C17H20N2O2S/c1-13(9-10-14-6-3-2-4-7-14)19-16(20)12-18-17(21)15-8-5-11-22-15/h2-8,11,13H,9-10,12H2,1H3,(H,18,21)(H,19,20)
InChIKeyPUTLIVZLQLNQOF-UHFFFAOYSA-N
XLogP2.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide (CID 18107541) is N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide is CC(CCc1ccccc1)NC(=O)CNC(=O)c1cccs1.
What is the InChIKey of N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide?
The InChIKey is PUTLIVZLQLNQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-13(9-10-14-6-3-2-4-7-14)19-16(20)12-18-17(21)15-8-5-11-22-15/h2-8,11,13H,9-10,12H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide?
N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 18107541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).