methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate

C17H13NO3S — CID 7166904

IUPACmethyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H13NO3S/c1-21-17(20)14-8-9-22-16(14)18-15(19)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,18,19)
InChIKeySEAOMIXIYSLTBC-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.94
Rot. Bonds3

About methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate

methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 7166904) has the molecular formula C17H13NO3S and a molecular weight of 311.36 g/mol. Its IUPAC name is methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID7166904
Molecular FormulaC17H13NO3S
Molecular Weight311.36 g/mol
Exact Mass311.06
IUPAC Namemethyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H13NO3S/c1-21-17(20)14-8-9-22-16(14)18-15(19)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,18,19)
InChIKeySEAOMIXIYSLTBC-UHFFFAOYSA-N
XLogP3.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[4-(trifluoromethoxy)benzoyl]amino]thiophene-3-carboxylate
CID 4293499
methyl 2-[(4-cyanobenzoyl)amino]thiophene-3-carboxylate
CID 4053233
methyl 2-[(4-tert-butyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 112845819
methyl 2-(thiophene-2-carbonylamino)thiophene-3-carboxylate
CID 2808577
methyl 4-[[3-(methylcarbamoyl)thiophen-2-yl]carbamoyl]benzoate
CID 7167229
methyl 2-[[3-(furan-2-carbonylamino)-4-methylbenzoyl]amino]thiophene-3-carboxylate
CID 55876306
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 2-[(2,2-diphenylacetyl)amino]thiophene-3-carboxylate
CID 7166897
methyl 2-[(4-chloro-2-hydroxybenzoyl)amino]thiophene-3-carboxylate
CID 167763040
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 18558965
methyl 2-[[4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]amino]thiophene-3-carboxylate
CID 55811789

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate (CID 7166904) is methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is SEAOMIXIYSLTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3S/c1-21-17(20)14-8-9-22-16(14)18-15(19)13-7-6-11-4-2-3-5-12(11)10-13/h2-10H,1H3,(H,18,19).
What are the key properties of methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate?
methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 311.36 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 7166904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).