propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate

C11H16N2O3S — CID 143196362

IUPACpropan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate
SMILESCNc1sc(C(=O)OC(C)C)c(C)c1C(N)=O
InChIInChI=1S/C11H16N2O3S/c1-5(2)16-11(15)8-6(3)7(9(12)14)10(13-4)17-8/h5,13H,1-4H3,(H2,12,14)
InChIKeyWQMZHBLXCFHKQG-UHFFFAOYSA-N
MW256.33 g/mol
LogP1.76
Rot. Bonds4

About propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate

propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate (PubChem CID 143196362) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate
PubChem CID143196362
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Namepropan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate
SMILESCNc1sc(C(=O)OC(C)C)c(C)c1C(N)=O
InChIInChI=1S/C11H16N2O3S/c1-5(2)16-11(15)8-6(3)7(9(12)14)10(13-4)17-8/h5,13H,1-4H3,(H2,12,14)
InChIKeyWQMZHBLXCFHKQG-UHFFFAOYSA-N
XLogP1.76
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1S,2S)-2-[(3-carbamoyl-4-methyl-5-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7026968
2-[(3-carbamoyl-4-methyl-5-propan-2-yloxycarbonylthiophen-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 11838132
propan-2-yl 4-carbamoyl-3-methyl-5-[(2-methylbenzoyl)amino]thiophene-2-carboxylate
CID 1009060
propan-2-yl 5-carbamoyl-2-[(2-chloroacetyl)amino]-4-methylthiophene-3-carboxylate
CID 17372687
propan-2-yl 4-carbamoyl-3-methyl-5-(3-thiophen-2-ylprop-2-enoylamino)thiophene-2-carboxylate
CID 2862870
propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841124
methyl 3-amino-4-carbamoyl-5-(methylamino)thiophene-2-carboxylate
CID 103424219
propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225232
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1358488
propan-2-yl 5-carbamoyl-2-[(2,2-dichloro-1-methylcyclopropanecarbonyl)amino]-4-methylthiophene-3-carboxylate
CID 3342100
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
CID 64975274
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 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate?
The IUPAC name of propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate (CID 143196362) is propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate.
What is the SMILES notation for propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate?
The canonical SMILES for propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate is CNc1sc(C(=O)OC(C)C)c(C)c1C(N)=O.
What is the InChIKey of propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate?
The InChIKey is WQMZHBLXCFHKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-5(2)16-11(15)8-6(3)7(9(12)14)10(13-4)17-8/h5,13H,1-4H3,(H2,12,14).
What are the key properties of propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate?
propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate is sourced from PubChem (CID 143196362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).