4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid

C18H15NO3S — CID 16773867

IUPAC4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccc3ccccc3c2)c(C(=O)O)c1C
InChIInChI=1S/C18H15NO3S/c1-10-11(2)23-17(15(10)18(21)22)19-16(20)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,19,20)(H,21,22)
InChIKeyAYJXPVKZBOWDFI-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.47
Rot. Bonds3

About 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid

4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid (PubChem CID 16773867) has the molecular formula C18H15NO3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
PubChem CID16773867
Molecular FormulaC18H15NO3S
Molecular Weight325.39 g/mol
Exact Mass325.08
IUPAC Name4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)c2ccc3ccccc3c2)c(C(=O)O)c1C
InChIInChI=1S/C18H15NO3S/c1-10-11(2)23-17(15(10)18(21)22)19-16(20)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,19,20)(H,21,22)
InChIKeyAYJXPVKZBOWDFI-UHFFFAOYSA-N
XLogP4.47
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,4,5-trimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxamide
CID 7520924
2-[(4-bromo-3-chlorobenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 81289030
4,5-dimethyl-2-[(2-methylpyridine-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 106752473
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
CID 104669364
N-[3-(1,3-benzothiazol-2-yl)-4,5-dimethylthiophen-2-yl]naphthalene-2-carboxamide
CID 16874515
6-(2-methylpropanoyl)-2-(naphthalene-2-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
CID 59124718
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 1318924
N-[3-(hydrazinecarbonyl)-4,5-dimethylthiophen-2-yl]benzamide
CID 571260
4,5-dimethyl-2-[(4-methylnaphthalene-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 175140929
2-[(5-chloro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 82877767

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid (CID 16773867) is 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid is Cc1sc(NC(=O)c2ccc3ccccc3c2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid?
The InChIKey is AYJXPVKZBOWDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S/c1-10-11(2)23-17(15(10)18(21)22)19-16(20)14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,19,20)(H,21,22).
What are the key properties of 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid?
4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid has a molecular weight of 325.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(naphthalene-2-carbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 16773867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).