[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate

C22H20N2O4S — CID 55484686

IUPAC[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-15(23-21(26)19-8-5-13-29-19)22(27)28-14-16-9-11-17(12-10-16)20(25)24-18-6-3-2-4-7-18/h2-13,15H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyMOSIHDNYVJRMTJ-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.86
Rot. Bonds7

About [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate

[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate (PubChem CID 55484686) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate
PubChem CID55484686
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1cccs1)C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H20N2O4S/c1-15(23-21(26)19-8-5-13-29-19)22(27)28-14-16-9-11-17(12-10-16)20(25)24-18-6-3-2-4-7-18/h2-13,15H,14H2,1H3,(H,23,26)(H,24,25)
InChIKeyMOSIHDNYVJRMTJ-UHFFFAOYSA-N
XLogP3.86
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
CID 27711279
(2-benzamido-2-oxoethyl) 2-(thiophene-2-carbonylamino)propanoate
CID 55484589
prop-2-enyl (2S)-2-(thiophene-2-carbonylamino)propanoate
CID 97003904
methyl 2-(thiophene-2-carbonylamino)propanoate
CID 531387
[2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2R)-2-(thiophene-2-carbonylamino)propanoate
CID 97003900
N-[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 42122098
N-[[4-[[4-(2-methylpropanoylamino)phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 46485056
[2-(4-benzamidophenyl)-2-oxoethyl] (2S)-2-benzamidopropanoate
CID 55927240
propan-2-yl 4-[(4-benzamidobenzoyl)oxymethyl]benzoate
CID 2199290
[4-[(4-methoxyphenyl)carbamoyl]phenyl]methyl 2-(2,2-dimethylpropanoylamino)propanoate
CID 18209777
[4-(phenylcarbamoyl)phenyl]methyl (E)-but-2-enoate
CID 7981070

Frequently Asked Questions

What is the IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate?
The IUPAC name of [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate (CID 55484686) is [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate.
What is the SMILES notation for [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate?
The canonical SMILES for [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate is CC(NC(=O)c1cccs1)C(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1.
What is the InChIKey of [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate?
The InChIKey is MOSIHDNYVJRMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-15(23-21(26)19-8-5-13-29-19)22(27)28-14-16-9-11-17(12-10-16)20(25)24-18-6-3-2-4-7-18/h2-13,15H,14H2,1H3,(H,23,26)(H,24,25).
What are the key properties of [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate?
[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate has a molecular weight of 408.48 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate is sourced from PubChem (CID 55484686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).