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

C12H15N2O4S- — CID 7741576

IUPAC5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
SMILESCc1sc(NC(=O)CCCC(=O)[O-])c(C(N)=O)c1C
InChIInChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)18)14-8(15)4-3-5-9(16)17/h3-5H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17)/p-1
InChIKeyCZHCEXOGLLRKRR-UHFFFAOYSA-M
MW283.33 g/mol
LogP0.32
Rot. Bonds6

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

5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate (PubChem CID 7741576) has the molecular formula C12H15N2O4S- and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate.

Molecular Properties

Compound Name5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
PubChem CID7741576
Molecular FormulaC12H15N2O4S-
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate
SMILESCc1sc(NC(=O)CCCC(=O)[O-])c(C(N)=O)c1C
InChIInChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)18)14-8(15)4-3-5-9(16)17/h3-5H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17)/p-1
InChIKeyCZHCEXOGLLRKRR-UHFFFAOYSA-M
XLogP0.32
TPSA112.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-(propanoylamino)thiophene-3-carboxamide
CID 675872
2-[3-(diethylamino)propanoylamino]-4,5-dimethylthiophene-3-carboxamide
CID 18474073
4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoate
CID 4746491
(E)-4-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
CID 922259
2-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 108807071
2-[[2-(4-chlorophenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 692952
ethyl 2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 4688162
2-(heptanoylamino)-4,5-dimethylthiophene-3-carboxylic acid
CID 43356752
4-[(5-benzyl-3-carbamoyl-4-methylthiophen-2-yl)amino]-4-oxobutanoate
CID 4078615
methyl 2-(7-aminoheptanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 61260025
ethyl 2-(6-aminohexanoylamino)-4,5-dimethylthiophene-3-carboxylate
CID 61259644
5-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-5-oxopentanoate
CID 3476734

Frequently Asked Questions

What is the IUPAC name of 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate?
The IUPAC name of 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate (CID 7741576) is 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate.
What is the SMILES notation for 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate?
The canonical SMILES for 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate is Cc1sc(NC(=O)CCCC(=O)[O-])c(C(N)=O)c1C.
What is the InChIKey of 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate?
The InChIKey is CZHCEXOGLLRKRR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H16N2O4S/c1-6-7(2)19-12(10(6)11(13)18)14-8(15)4-3-5-9(16)17/h3-5H2,1-2H3,(H2,13,18)(H,14,15)(H,16,17)/p-1.
What are the key properties of 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate?
5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate has a molecular weight of 283.33 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-carbamoyl-4,5-dimethylthiophen-2-yl)amino]-5-oxopentanoate is sourced from PubChem (CID 7741576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).