propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate

C19H22N2O6S — CID 1225232

IUPACpropan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
SMILESCOc1cc(OC)cc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)c1
InChIInChI=1S/C19H22N2O6S/c1-9(2)27-19(24)14-10(3)15(16(20)22)28-18(14)21-17(23)11-6-12(25-4)8-13(7-11)26-5/h6-9H,1-5H3,(H2,20,22)(H,21,23)
InChIKeyUVRQYEWWTAYARM-UHFFFAOYSA-N
MW406.46 g/mol
LogP2.99
Rot. Bonds7

About propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate

propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate (PubChem CID 1225232) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
PubChem CID1225232
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Namepropan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
SMILESCOc1cc(OC)cc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)c1
InChIInChI=1S/C19H22N2O6S/c1-9(2)27-19(24)14-10(3)15(16(20)22)28-18(14)21-17(23)11-6-12(25-4)8-13(7-11)26-5/h6-9H,1-5H3,(H2,20,22)(H,21,23)
InChIKeyUVRQYEWWTAYARM-UHFFFAOYSA-N
XLogP2.99
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841124
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1358488
propan-2-yl 5-carbamoyl-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate
CID 19474529
propan-2-yl 5-carbamoyl-2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 17372687
4-O-ethyl 2-O-propan-2-yl 5-[(3,4-dimethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 19182080
propan-2-yl 5-carbamoyl-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylthiophene-3-carboxylate
CID 19474812
methyl 5-carbamoyl-2-[(4-chlorobenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225568
dipropan-2-yl 3-methyl-5-[(3,4,5-triethoxybenzoyl)amino]thiophene-2,4-dicarboxylate
CID 5108899
dipropan-2-yl 5-[(4-ethoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 5166720
propan-2-yl (6S)-2-[(3,5-dimethoxybenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 1221238
propan-2-yl 5-carbamoyl-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]-4-methylthiophene-3-carboxylate
CID 3342100
propan-2-yl 2-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 19533365

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
The IUPAC name of propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate (CID 1225232) is propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate is COc1cc(OC)cc(C(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)c1.
What is the InChIKey of propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
The InChIKey is UVRQYEWWTAYARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-9(2)27-19(24)14-10(3)15(16(20)22)28-18(14)21-17(23)11-6-12(25-4)8-13(7-11)26-5/h6-9H,1-5H3,(H2,20,22)(H,21,23).
What are the key properties of propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate?
propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate has a molecular weight of 406.46 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate is sourced from PubChem (CID 1225232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).