(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H20N2O3S — CID 26707892

IUPAC(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4O3)n2)cc1
InChIInChI=1S/C21H20N2O3S/c1-25-11-10-14-6-8-15(9-7-14)17-13-27-21(22-17)23-20(24)19-12-16-4-2-3-5-18(16)26-19/h2-9,13,19H,10-12H2,1H3,(H,22,23,24)/t19-/m0/s1
InChIKeyFSURFWBWMGKDRU-IBGZPJMESA-N
MW380.47 g/mol
LogP3.94
Rot. Bonds6

About (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26707892) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26707892
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOCCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4O3)n2)cc1
InChIInChI=1S/C21H20N2O3S/c1-25-11-10-14-6-8-15(9-7-14)17-13-27-21(22-17)23-20(24)19-12-16-4-2-3-5-18(16)26-19/h2-9,13,19H,10-12H2,1H3,(H,22,23,24)/t19-/m0/s1
InChIKeyFSURFWBWMGKDRU-IBGZPJMESA-N
XLogP3.94
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230019
(2R)-N-(4-methyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26690824
N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47121329
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47163706
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3576515
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 9100665
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]quinoline-2-carboxamide
CID 9117772
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30045813
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64558448
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 17405575
N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 9100810
3-fluoro-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]benzamide
CID 9100757

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26707892) is (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is COCCc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4O3)n2)cc1.
What is the InChIKey of (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FSURFWBWMGKDRU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-25-11-10-14-6-8-15(9-7-14)17-13-27-21(22-17)23-20(24)19-12-16-4-2-3-5-18(16)26-19/h2-9,13,19H,10-12H2,1H3,(H,22,23,24)/t19-/m0/s1.
What are the key properties of (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-[4-(2-methoxyethyl)phenyl]-1,3-thiazol-2-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26707892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).