methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate

C19H19NO3S2 — CID 110503326

IUPACmethyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCCc1c(C(=O)Nc2sc(C)cc2C(=O)OC)sc2ccccc12
InChIInChI=1S/C19H19NO3S2/c1-4-7-13-12-8-5-6-9-15(12)25-16(13)17(21)20-18-14(19(22)23-3)10-11(2)24-18/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)
InChIKeyLLZXSZJWPHJFFM-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.26
Rot. Bonds5

About methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate

methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 110503326) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
PubChem CID110503326
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC Namemethyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
SMILESCCCc1c(C(=O)Nc2sc(C)cc2C(=O)OC)sc2ccccc12
InChIInChI=1S/C19H19NO3S2/c1-4-7-13-12-8-5-6-9-15(12)25-16(13)17(21)20-18-14(19(22)23-3)10-11(2)24-18/h5-6,8-10H,4,7H2,1-3H3,(H,20,21)
InChIKeyLLZXSZJWPHJFFM-UHFFFAOYSA-N
XLogP5.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(2,5-dimethylphenyl)-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503376
ethyl 5-(diethylcarbamoyl)-4-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503367
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110503312
N-(2-hydroxy-5-methylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500869
N-(2,3-dimethylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500805
ethyl 4-(4-chlorophenyl)-5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 110503357
2-chloro-5-[(3-propyl-1-benzothiophene-2-carbonyl)amino]benzoic acid
CID 110500861
N-(4-tert-butylphenyl)-3-propyl-1-benzothiophene-2-carboxamide
CID 110500865
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500854
4-O-ethyl 2-O-(2-methoxyethyl) 3-methyl-5-[[3-[(4-methylphenyl)methyl]-1-benzothiophene-2-carbonyl]amino]thiophene-2,4-dicarboxylate
CID 110503276
N-cyclohexyl-3-propyl-1-benzothiophene-2-carboxamide
CID 110497075
N-[4-(acetylsulfamoyl)phenyl]-3-propyl-1-benzothiophene-2-carboxamide
CID 110500842

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate (CID 110503326) is methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate is CCCc1c(C(=O)Nc2sc(C)cc2C(=O)OC)sc2ccccc12.
What is the InChIKey of methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is LLZXSZJWPHJFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-4-7-13-12-8-5-6-9-15(12)25-16(13)17(21)20-18-14(19(22)23-3)10-11(2)24-18/h5-6,8-10H,4,7H2,1-3H3,(H,20,21).
What are the key properties of methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate?
methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 5.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-[(3-propyl-1-benzothiophene-2-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 110503326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).