(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

C17H14N2O4S2 — CID 26687760

IUPAC(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4O3)sc2c1
InChIInChI=1S/C17H14N2O4S2/c1-25(21,22)11-6-7-12-15(9-11)24-17(18-12)19-16(20)14-8-10-4-2-3-5-13(10)23-14/h2-7,9,14H,8H2,1H3,(H,18,19,20)/t14-/m0/s1
InChIKeyFOGXWQFDEKHTMS-AWEZNQCLSA-N
MW374.44 g/mol
LogP2.64
Rot. Bonds3

About (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 26687760) has the molecular formula C17H14N2O4S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID26687760
Molecular FormulaC17H14N2O4S2
Molecular Weight374.44 g/mol
Exact Mass374.04
IUPAC Name(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4O3)sc2c1
InChIInChI=1S/C17H14N2O4S2/c1-25(21,22)11-6-7-12-15(9-11)24-17(18-12)19-16(20)14-8-10-4-2-3-5-13(10)23-14/h2-7,9,14H,8H2,1H3,(H,18,19,20)/t14-/m0/s1
InChIKeyFOGXWQFDEKHTMS-AWEZNQCLSA-N
XLogP2.64
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 154747635
N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134049099
(2S)-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26693774
(3S)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-oxo-4H-isochromene-3-carboxamide
CID 2528245
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110689746
N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 3266949
1-cyclopropyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 55374561
2-[(6-methylsulfonyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid
CID 2255145
(3R)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
CID 1164537
(3S)-N-(6-methyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 731658
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2-phenylbutanamide
CID 1273299
(2R)-5-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006570

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 26687760) is (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is CS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4O3)sc2c1.
What is the InChIKey of (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FOGXWQFDEKHTMS-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H14N2O4S2/c1-25(21,22)11-6-7-12-15(9-11)24-17(18-12)19-16(20)14-8-10-4-2-3-5-13(10)23-14/h2-7,9,14H,8H2,1H3,(H,18,19,20)/t14-/m0/s1.
What are the key properties of (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26687760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).