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

C15H16N2OS2 — CID 81269659

IUPACN-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(s2)CCSC3)ccc1N
InChIInChI=1S/C15H16N2OS2/c1-9-6-11(2-3-12(9)16)17-15(18)14-7-10-8-19-5-4-13(10)20-14/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyUUDMBWXASWCYLD-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.68
Rot. Bonds2

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

N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (PubChem CID 81269659) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
PubChem CID81269659
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC NameN-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(s2)CCSC3)ccc1N
InChIInChI=1S/C15H16N2OS2/c1-9-6-11(2-3-12(9)16)17-15(18)14-7-10-8-19-5-4-13(10)20-14/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyUUDMBWXASWCYLD-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 107575004
N-(2-amino-5-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81266934
N-(2-amino-4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81269223
N-(3-ethynylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 80708496
N-(4-amino-3-methylphenyl)-4,5-dimethylthiophene-2-carboxamide
CID 65237624
N-[2-(aminomethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261759
(2S)-2-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carbonylamino)propanoic acid
CID 81267842
N-(4-amino-3-methylphenyl)thieno[3,2-b]thiophene-5-carboxamide
CID 80729190
N-[(2R)-1-hydroxybutan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 113351917
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261404
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(3,4-dimethylphenyl)methanone
CID 81260815
(4-amino-3-fluorophenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methanone
CID 81260617

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide (CID 81269659) is N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is Cc1cc(NC(=O)c2cc3c(s2)CCSC3)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
The InChIKey is UUDMBWXASWCYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-9-6-11(2-3-12(9)16)17-15(18)14-7-10-8-19-5-4-13(10)20-14/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide?
N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide is sourced from PubChem (CID 81269659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).