2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide

C14H16N2O4S3 — CID 99813507

IUPAC2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C[C@H]2OCCc3ccsc32)s1
InChIInChI=1S/C14H16N2O4S3/c1-8-14(22-9(2)15-8)23(18,19)16-12(17)7-11-13-10(3-5-20-11)4-6-21-13/h4,6,11H,3,5,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyFWRACLQDFOZKDL-LLVKDONJSA-N
MW372.49 g/mol
LogP2.33
Rot. Bonds4

About 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide

2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide (PubChem CID 99813507) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide.

Molecular Properties

Compound Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide
PubChem CID99813507
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC Name2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide
SMILESCc1nc(C)c(S(=O)(=O)NC(=O)C[C@H]2OCCc3ccsc32)s1
InChIInChI=1S/C14H16N2O4S3/c1-8-14(22-9(2)15-8)23(18,19)16-12(17)7-11-13-10(3-5-20-11)4-6-21-13/h4,6,11H,3,5,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyFWRACLQDFOZKDL-LLVKDONJSA-N
XLogP2.33
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide with MolForge

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Related Compounds

N-(4-chloro-2-fluorophenyl)sulfonyl-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556409
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 97072566
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-3-methylthiophene-2-carboxamide
CID 71981731
N-[5-(cyclopentylmethyl)-1,3,4-thiadiazol-2-yl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102556412
tert-butyl N-[2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-methylpropyl]carbamate
CID 102556388
1-(azepan-1-yl)-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)ethanone
CID 71933570
N-[3-chloro-2-(propan-2-ylamino)phenyl]-2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetamide
CID 102558788
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[4-methyl-3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]acetamide
CID 102558789
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]cyclopent-3-ene-1-carboxamide
CID 71981730
2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)-N-[[3-[(dimethylamino)methyl]-4-fluorophenyl]methyl]acetamide
CID 102557321
N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]-2-methyl-3-thiophen-2-ylpropanamide
CID 71981735
2-[[2-(5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl)acetyl]amino]-2-phenyl-N-(1H-pyrazol-5-yl)acetamide
CID 71931463

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide?
The IUPAC name of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide (CID 99813507) is 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide.
What is the SMILES notation for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide?
The canonical SMILES for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide is Cc1nc(C)c(S(=O)(=O)NC(=O)C[C@H]2OCCc3ccsc32)s1.
What is the InChIKey of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide?
The InChIKey is FWRACLQDFOZKDL-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c1-8-14(22-9(2)15-8)23(18,19)16-12(17)7-11-13-10(3-5-20-11)4-6-21-13/h4,6,11H,3,5,7H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide?
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide has a molecular weight of 372.49 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]acetamide is sourced from PubChem (CID 99813507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).