methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate

C19H21NO3S — CID 7287248

IUPACmethyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc(C)c1C
InChIInChI=1S/C19H21NO3S/c1-11-12(2)24-18(16(11)19(22)23-3)20-17(21)15-9-8-13-6-4-5-7-14(13)10-15/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyMBIRVMDTBKQGGA-UHFFFAOYSA-N
MW343.45 g/mol
LogP4.28
Rot. Bonds3

About methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate

methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate (PubChem CID 7287248) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
PubChem CID7287248
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC Namemethyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc(C)c1C
InChIInChI=1S/C19H21NO3S/c1-11-12(2)24-18(16(11)19(22)23-3)20-17(21)15-9-8-13-6-4-5-7-14(13)10-15/h8-10H,4-7H2,1-3H3,(H,20,21)
InChIKeyMBIRVMDTBKQGGA-UHFFFAOYSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate with MolForge

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Related Compounds

dimethyl 3-methyl-5-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-2,4-dicarboxylate
CID 44918808
methyl 2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1-benzothiophene-3-carboxylate
CID 7673173
methyl 4,5-dimethyl-2-[(3-methyl-4-nitrobenzoyl)amino]thiophene-3-carboxylate
CID 705597
methyl 4-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 44922171
methyl 2-[[4-(diethylaminomethyl)benzoyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 55666471
methyl 2-(dibenzofuran-2-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 18876182
methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254
methyl 2-[(4-methylbenzoyl)amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylate
CID 19226548
ethyl 6-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4591239
methyl 2-[(5-aminofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82344409
2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 4990020
methyl 2-[[4-[(3-methoxycarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]benzoyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 3374203

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate (CID 7287248) is methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate?
The InChIKey is MBIRVMDTBKQGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-11-12(2)24-18(16(11)19(22)23-3)20-17(21)15-9-8-13-6-4-5-7-14(13)10-15/h8-10H,4-7H2,1-3H3,(H,20,21).
What are the key properties of methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate has a molecular weight of 343.45 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 7287248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).