methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate

C18H15NO3S2 — CID 18537299

IUPACmethyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc3ccccc23)c(SC)s1
InChIInChI=1S/C18H15NO3S2/c1-22-17(21)15-10-14(18(23-2)24-15)19-16(20)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H,19,20)
InChIKeyZSBWTSFLXBICNN-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.66
Rot. Bonds4

About methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate

methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate (PubChem CID 18537299) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate
PubChem CID18537299
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC Namemethyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(NC(=O)c2cccc3ccccc23)c(SC)s1
InChIInChI=1S/C18H15NO3S2/c1-22-17(21)15-10-14(18(23-2)24-15)19-16(20)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H,19,20)
InChIKeyZSBWTSFLXBICNN-UHFFFAOYSA-N
XLogP4.66
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(carbamothioylamino)-5-methylsulfanylthiophene-2-carboxylate
CID 18536947
methyl 5-methylsulfanyl-4-(3-phenoxyanilino)thiophene-2-carboxylate
CID 18537186
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
N-(2-methoxy-4-methylphenyl)naphthalene-1-carboxamide
CID 66596351
methyl 5-methylsulfanyl-4-(6-phenyl-2-pyridinyl)thiophene-2-carboxylate
CID 18536958
N-(5-chloro-2,4-dimethoxyphenyl)naphthalene-1-carboxamide
CID 823910
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
methyl 4-(3-chlorophenyl)-5-methyl-2-(naphthalene-1-carbonylamino)thiophene-3-carboxylate
CID 19220320
N-(2-iodophenyl)naphthalene-1-carboxamide
CID 11660752
4-methoxy-3-(naphthalene-1-carbonylamino)benzoic acid
CID 28668454
N-(4,6-dimethylpyrimidin-2-yl)naphthalene-1-carboxamide
CID 966576

Frequently Asked Questions

What is the IUPAC name of methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate (CID 18537299) is methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate is COC(=O)c1cc(NC(=O)c2cccc3ccccc23)c(SC)s1.
What is the InChIKey of methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate?
The InChIKey is ZSBWTSFLXBICNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S2/c1-22-17(21)15-10-14(18(23-2)24-15)19-16(20)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H,19,20).
What are the key properties of methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate?
methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methylsulfanyl-4-(naphthalene-1-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 18537299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).