N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

C17H20N2O2S — CID 31683117

IUPACN,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)[C@@H](C)c2cccs2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C17H20N2O2S/c1-10-15-12(6-4-7-13(15)20)18-16(10)17(21)19(3)11(2)14-8-5-9-22-14/h5,8-9,11,18H,4,6-7H2,1-3H3/t11-/m0/s1
InChIKeyXGLKTFOAXGNYBS-NSHDSACASA-N
MW316.43 g/mol
LogP3.74
Rot. Bonds3

About N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide

N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (PubChem CID 31683117) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
PubChem CID31683117
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC NameN,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide
SMILESCc1c(C(=O)N(C)[C@@H](C)c2cccs2)[nH]c2c1C(=O)CCC2
InChIInChI=1S/C17H20N2O2S/c1-10-15-12(6-4-7-13(15)20)18-16(10)17(21)19(3)11(2)14-8-5-9-22-14/h5,8-9,11,18H,4,6-7H2,1-3H3/t11-/m0/s1
InChIKeyXGLKTFOAXGNYBS-NSHDSACASA-N
XLogP3.74
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The IUPAC name of N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide (CID 31683117) is N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The canonical SMILES for N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is Cc1c(C(=O)N(C)[C@@H](C)c2cccs2)[nH]c2c1C(=O)CCC2.
What is the InChIKey of N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
The InChIKey is XGLKTFOAXGNYBS-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-10-15-12(6-4-7-13(15)20)18-16(10)17(21)19(3)11(2)14-8-5-9-22-14/h5,8-9,11,18H,4,6-7H2,1-3H3/t11-/m0/s1.
What are the key properties of N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide?
N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-oxo-N-[(1S)-1-thiophen-2-ylethyl]-1,5,6,7-tetrahydroindole-2-carboxamide is sourced from PubChem (CID 31683117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).