5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid

C18H20N2O4S — CID 119185766

IUPAC5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCC(=O)N(Cc1ccc(NC(=O)c2ccc(C(=O)O)s2)cc1)C(C)C
InChIInChI=1S/C18H20N2O4S/c1-11(2)20(12(3)21)10-13-4-6-14(7-5-13)19-17(22)15-8-9-16(25-15)18(23)24/h4-9,11H,10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyFOHKFZPYXONVDM-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.46
Rot. Bonds6

About 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid

5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid (PubChem CID 119185766) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
PubChem CID119185766
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid
SMILESCC(=O)N(Cc1ccc(NC(=O)c2ccc(C(=O)O)s2)cc1)C(C)C
InChIInChI=1S/C18H20N2O4S/c1-11(2)20(12(3)21)10-13-4-6-14(7-5-13)19-17(22)15-8-9-16(25-15)18(23)24/h4-9,11H,10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyFOHKFZPYXONVDM-UHFFFAOYSA-N
XLogP3.46
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-propylphenyl)carbamoyl]thiophene-2-carboxylic acid
CID 43414555
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carboxamide
CID 86963350
5-(phenylcarbamoyl)thiophene-2-carboxylic acid
CID 43414375
N-benzyl-N-propan-2-ylacetamide
CID 23534449
(2S)-N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-2-amino-4-methylpentanamide
CID 119792493
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-amino-3-methoxybutanamide
CID 120592672
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 119792447
2-[2-[4-[[acetyl(propan-2-yl)amino]methyl]anilino]-2-oxoethyl]benzamide
CID 167920354
5-ethyl-N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64793569
1-benzyl-3-phenyl-1-propan-2-ylurea;ethane
CID 160933231
N-(4-ethylphenyl)-5-methylthiophene-2-carboxamide
CID 42992010
N-[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120933669

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid (CID 119185766) is 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid is CC(=O)N(Cc1ccc(NC(=O)c2ccc(C(=O)O)s2)cc1)C(C)C.
What is the InChIKey of 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid?
The InChIKey is FOHKFZPYXONVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-11(2)20(12(3)21)10-13-4-6-14(7-5-13)19-17(22)15-8-9-16(25-15)18(23)24/h4-9,11H,10H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid?
5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid has a molecular weight of 360.44 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[acetyl(propan-2-yl)amino]methyl]phenyl]carbamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 119185766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).