N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

C15H16N2O2S2 — CID 81266934

IUPACN-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc3c(s2)CCSC3)c1
InChIInChI=1S/C15H16N2O2S2/c1-19-10-2-3-11(16)12(7-10)17-15(18)14-6-9-8-20-5-4-13(9)21-14/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyPLXJWTHLBJZDPK-UHFFFAOYSA-N
MW320.44 g/mol
LogP3.38
Rot. Bonds3

About N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide

N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 81266934) has the molecular formula C15H16N2O2S2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID81266934
Molecular FormulaC15H16N2O2S2
Molecular Weight320.44 g/mol
Exact Mass320.07
IUPAC NameN-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCOc1ccc(N)c(NC(=O)c2cc3c(s2)CCSC3)c1
InChIInChI=1S/C15H16N2O2S2/c1-19-10-2-3-11(16)12(7-10)17-15(18)14-6-9-8-20-5-4-13(9)21-14/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyPLXJWTHLBJZDPK-UHFFFAOYSA-N
XLogP3.38
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-5-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 63257703
N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269659
N-(2-amino-4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269223
N-(2-amino-5-methoxyphenyl)-5-methylthiophene-2-carboxamide
CID 63258266
N-(2,5-dimethoxyphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2348568
N-[2-(aminomethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261759
N-(2-amino-5-methoxyphenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 103805177
methyl 2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)acetate
CID 80708882
N-(2,5-dimethoxyphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 46797687
methyl 5-methoxy-2-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonylamino)benzoate
CID 51125904
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)propanoic acid
CID 81267842
N-(4-bromo-3,5-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 107575004

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 81266934) is N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is COc1ccc(N)c(NC(=O)c2cc3c(s2)CCSC3)c1.
What is the InChIKey of N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is PLXJWTHLBJZDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2S2/c1-19-10-2-3-11(16)12(7-10)17-15(18)14-6-9-8-20-5-4-13(9)21-14/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18).
What are the key properties of N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 81266934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).