2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

C11H16N2O3S — CID 63114027

IUPAC2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCC(C)N(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-4-7(2)13(3)11(16)12-9-8(10(14)15)5-6-17-9/h5-7H,4H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyPZGKGNMZPPJFBR-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.71
Rot. Bonds4

About 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid

2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114027) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114027
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCCC(C)N(C)C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C11H16N2O3S/c1-4-7(2)13(3)11(16)12-9-8(10(14)15)5-6-17-9/h5-7H,4H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyPZGKGNMZPPJFBR-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 112662438
2-[[methyl(2-methylpropyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114025
2-[[methyl(1-thiophen-2-ylethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114407
2-(dipropylcarbamoylamino)thiophene-3-carboxylic acid
CID 63113469
2-[[ethyl(propyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63113991
2-[[2,2-dimethylpropyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114709
2-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113966
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 55168036
2-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]thiophene-3-carboxylic acid
CID 167926285
2-[[ethyl-[2-(methylamino)-2-oxoethyl]carbamoyl]amino]thiophene-3-carboxylic acid
CID 55177506
2-[[(1-ethylpiperidin-4-yl)-methylcarbamoyl]amino]thiophene-3-carboxylic acid
CID 63113816
2-[[butan-2-yl(methyl)carbamoyl]amino]-3-methylbenzoic acid
CID 61195133

Frequently Asked Questions

What is the IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114027) is 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is CCC(C)N(C)C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is PZGKGNMZPPJFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-4-7(2)13(3)11(16)12-9-8(10(14)15)5-6-17-9/h5-7H,4H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid?
2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[butan-2-yl(methyl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).