methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate

C20H17NO3S — CID 19318440

IUPACmethyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO3S/c1-24-19(22)13-25-18-8-4-7-17(12-18)21-20(23)16-10-9-14-5-2-3-6-15(14)11-16/h2-12H,13H2,1H3,(H,21,23)
InChIKeyCMPPDBKRBCQCEL-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.36
Rot. Bonds5

About methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate

methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate (PubChem CID 19318440) has the molecular formula C20H17NO3S and a molecular weight of 351.43 g/mol. Its IUPAC name is methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate
PubChem CID19318440
Molecular FormulaC20H17NO3S
Molecular Weight351.43 g/mol
Exact Mass351.09
IUPAC Namemethyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate
SMILESCOC(=O)CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C20H17NO3S/c1-24-19(22)13-25-18-8-4-7-17(12-18)21-20(23)16-10-9-14-5-2-3-6-15(14)11-16/h2-12H,13H2,1H3,(H,21,23)
InChIKeyCMPPDBKRBCQCEL-UHFFFAOYSA-N
XLogP4.36
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908238
N-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908206
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]acetate
CID 70091613
N-[3-[2-(2-bromoanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908205
N-[3-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908218
N-[3-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 18908221
methyl 2-[[2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 18912056
N-[3-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299278
N-[3-[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19299275
N-[3-(2-anilino-2-oxoethyl)sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902730
N-(3-acetylphenyl)naphthalene-2-carboxamide
CID 2274462
methyl 2-[3-(butanoylamino)phenyl]sulfanylacetate
CID 19318417

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate?
The IUPAC name of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate (CID 19318440) is methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate.
What is the SMILES notation for methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate?
The canonical SMILES for methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate is COC(=O)CSc1cccc(NC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate?
The InChIKey is CMPPDBKRBCQCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3S/c1-24-19(22)13-25-18-8-4-7-17(12-18)21-20(23)16-10-9-14-5-2-3-6-15(14)11-16/h2-12H,13H2,1H3,(H,21,23).
What are the key properties of methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate?
methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate has a molecular weight of 351.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(naphthalene-2-carbonylamino)phenyl]sulfanylacetate is sourced from PubChem (CID 19318440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).