benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate

C21H18N2O4S — CID 27711279

IUPACbenzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)OCc1ccccc1
InChIInChI=1S/C21H18N2O4S/c24-19(27-14-15-5-2-1-3-6-15)13-22-20(25)16-8-10-17(11-9-16)23-21(26)18-7-4-12-28-18/h1-12H,13-14H2,(H,22,25)(H,23,26)
InChIKeyITMIHAJWLBXYHW-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.47
Rot. Bonds7

About benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate

benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate (PubChem CID 27711279) has the molecular formula C21H18N2O4S and a molecular weight of 394.45 g/mol. Its IUPAC name is benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate.

Molecular Properties

Compound Namebenzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
PubChem CID27711279
Molecular FormulaC21H18N2O4S
Molecular Weight394.45 g/mol
Exact Mass394.10
IUPAC Namebenzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate
SMILESO=C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)OCc1ccccc1
InChIInChI=1S/C21H18N2O4S/c24-19(27-14-15-5-2-1-3-6-15)13-22-20(25)16-8-10-17(11-9-16)23-21(26)18-7-4-12-28-18/h1-12H,13-14H2,(H,22,25)(H,23,26)
InChIKeyITMIHAJWLBXYHW-UHFFFAOYSA-N
XLogP3.47
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(benzylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2979144
2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetic acid
CID 2731835
benzyl 2-benzamidoacetate;ethane
CID 142836612
N-[4-[(thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-carboxamide
CID 1117998
[4-(phenylcarbamoyl)phenyl]methyl 2-(thiophene-2-carbonylamino)propanoate
CID 55484686
[4-(thiophene-2-carbonylamino)phenyl] 2-phenylmethoxyacetate
CID 102603587
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(thiophene-2-carbonylamino)acetate
CID 8662292
N-[2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]furan-2-carboxamide
CID 121062754
N-[4-(2-phenylsulfanylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 9483103
5-[[4-(thiophene-2-carbonylamino)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 17296915
methyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
CID 957235
prop-2-ynyl 4-(thiophene-2-carbonylamino)benzoate
CID 47110953

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate?
The IUPAC name of benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate (CID 27711279) is benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate.
What is the SMILES notation for benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate?
The canonical SMILES for benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate is O=C(CNC(=O)c1ccc(NC(=O)c2cccs2)cc1)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate?
The InChIKey is ITMIHAJWLBXYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4S/c24-19(27-14-15-5-2-1-3-6-15)13-22-20(25)16-8-10-17(11-9-16)23-21(26)18-7-4-12-28-18/h1-12H,13-14H2,(H,22,25)(H,23,26).
What are the key properties of benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate?
benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate has a molecular weight of 394.45 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[4-(thiophene-2-carbonylamino)benzoyl]amino]acetate is sourced from PubChem (CID 27711279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).