2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid

C16H15NO4S — CID 119353158

IUPAC2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C16H15NO4S/c18-15(19)8-10-3-1-2-4-12(10)17-16(20)14-7-11-9-21-6-5-13(11)22-14/h1-4,7H,5-6,8-9H2,(H,17,20)(H,18,19)
InChIKeyJVGLENYCLWASHE-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid

2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid (PubChem CID 119353158) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
PubChem CID119353158
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC Name2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cc2c(s1)CCOC2
InChIInChI=1S/C16H15NO4S/c18-15(19)8-10-3-1-2-4-12(10)17-16(20)14-7-11-9-21-6-5-13(11)22-14/h1-4,7H,5-6,8-9H2,(H,17,20)(H,18,19)
InChIKeyJVGLENYCLWASHE-UHFFFAOYSA-N
XLogP2.70
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 110932711
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
N-[2-(aminomethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-carboxamide
CID 81261759
N-[2-(ethylaminomethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119440726
(5R)-N-(2-ethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 7750888
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 119498408
N-[(2S)-1-aminopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 120508772
N-(2-morpholin-4-ylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 9459810
N-(3-aminobutyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119498407
N-(3-ethyl-2-hydroxypentyl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide
CID 111115819
N-(1-amino-2-methylpropan-2-yl)-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide;hydrochloride
CID 119524124
N-(2-chlorophenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7947687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid (CID 119353158) is 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cc2c(s1)CCOC2.
What is the InChIKey of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid?
The InChIKey is JVGLENYCLWASHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c18-15(19)8-10-3-1-2-4-12(10)17-16(20)14-7-11-9-21-6-5-13(11)22-14/h1-4,7H,5-6,8-9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid?
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid has a molecular weight of 317.37 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-2-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 119353158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).