(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide

C17H22N2O3S — CID 95332286

IUPAC(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1COc2ccccc21
InChIInChI=1S/C17H22N2O3S/c1-17(2,3)16(21)19-10-23-9-13(19)15(20)18-12-8-22-14-7-5-4-6-11(12)14/h4-7,12-13H,8-10H2,1-3H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyYNRKKNWATXKEAK-OLZOCXBDSA-N
MW334.44 g/mol
LogP2.18
Rot. Bonds2

About (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide

(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 95332286) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
PubChem CID95332286
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1COc2ccccc21
InChIInChI=1S/C17H22N2O3S/c1-17(2,3)16(21)19-10-23-9-13(19)15(20)18-12-8-22-14-7-5-4-6-11(12)14/h4-7,12-13H,8-10H2,1-3H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyYNRKKNWATXKEAK-OLZOCXBDSA-N
XLogP2.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide (CID 95332286) is (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide is CC(C)(C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1COc2ccccc21.
What is the InChIKey of (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is YNRKKNWATXKEAK-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-17(2,3)16(21)19-10-23-9-13(19)15(20)18-12-8-22-14-7-5-4-6-11(12)14/h4-7,12-13H,8-10H2,1-3H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide?
(4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[(3S)-2,3-dihydro-1-benzofuran-3-yl]-3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95332286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).