N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide

C18H20N2O2S — CID 95382922

IUPACN-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide
SMILESCN(CC(=O)N[C@@H]1CCc2ccccc2C1)C(=O)c1ccsc1
InChIInChI=1S/C18H20N2O2S/c1-20(18(22)15-8-9-23-12-15)11-17(21)19-16-7-6-13-4-2-3-5-14(13)10-16/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyIZMALHHHANDHSD-MRXNPFEDSA-N
MW328.44 g/mol
LogP2.49
Rot. Bonds4

About N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide

N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide (PubChem CID 95382922) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide
PubChem CID95382922
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide
SMILESCN(CC(=O)N[C@@H]1CCc2ccccc2C1)C(=O)c1ccsc1
InChIInChI=1S/C18H20N2O2S/c1-20(18(22)15-8-9-23-12-15)11-17(21)19-16-7-6-13-4-2-3-5-14(13)10-16/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeyIZMALHHHANDHSD-MRXNPFEDSA-N
XLogP2.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide?
The IUPAC name of N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide (CID 95382922) is N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide is CN(CC(=O)N[C@@H]1CCc2ccccc2C1)C(=O)c1ccsc1.
What is the InChIKey of N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide?
The InChIKey is IZMALHHHANDHSD-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-20(18(22)15-8-9-23-12-15)11-17(21)19-16-7-6-13-4-2-3-5-14(13)10-16/h2-5,8-9,12,16H,6-7,10-11H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide?
N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-oxo-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 95382922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).