methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate

C12H18N2O3S — CID 82316919

IUPACmethyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C12H18N2O3S/c1-6(12(16)17-4)5-14-11-9(10(13)15)7(2)8(3)18-11/h6,14H,5H2,1-4H3,(H2,13,15)
InChIKeyNPCVPKZECUOPBA-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.68
Rot. Bonds5

About methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate

methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate (PubChem CID 82316919) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate
PubChem CID82316919
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C12H18N2O3S/c1-6(12(16)17-4)5-14-11-9(10(13)15)7(2)8(3)18-11/h6,14H,5H2,1-4H3,(H2,13,15)
InChIKeyNPCVPKZECUOPBA-UHFFFAOYSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 82316826
4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
1-N,3-N-bis(3-carbamoyl-4,5-dimethylthiophen-2-yl)benzene-1,3-dicarboxamide
CID 4144857
2-(2-ethylhexanoylamino)-4,5-dimethylthiophene-3-carboxamide
CID 4195204
5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
CID 7741576
methyl 2-[(3-methoxy-2-methyl-3-oxopropyl)amino]thiophene-3-carboxylate
CID 82316810
4,5-dimethyl-2-[(4-propan-2-yloxybenzoyl)amino]thiophene-3-carboxamide
CID 4951886
3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122078614
2-[(3,4-dimethoxybenzoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 841038
4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoate
CID 4746491
2-[[2-(4-methoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 833532
ethyl 4,5-dimethyl-2-propan-2-ylthiophene-3-carboxylate
CID 71006183

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate (CID 82316919) is methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate is COC(=O)C(C)CNc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate?
The InChIKey is NPCVPKZECUOPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-6(12(16)17-4)5-14-11-9(10(13)15)7(2)8(3)18-11/h6,14H,5H2,1-4H3,(H2,13,15).
What are the key properties of methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate?
methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate has a molecular weight of 270.35 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-2-methylpropanoate is sourced from PubChem (CID 82316919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).