[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

C24H22N2O5S — CID 30973767

IUPAC[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C24H22N2O5S/c1-16(27)25-14-18-11-12-22(32-18)21(28)15-31-24(30)19-9-5-6-10-20(19)26-23(29)13-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,25,27)(H,26,29)
InChIKeyNXSGZZKDHSSTJG-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.61
Rot. Bonds9

About [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate

[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (PubChem CID 30973767) has the molecular formula C24H22N2O5S and a molecular weight of 450.52 g/mol. Its IUPAC name is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.

Molecular Properties

Compound Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
PubChem CID30973767
Molecular FormulaC24H22N2O5S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC Name[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
SMILESCC(=O)NCc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)s1
InChIInChI=1S/C24H22N2O5S/c1-16(27)25-14-18-11-12-22(32-18)21(28)15-31-24(30)19-9-5-6-10-20(19)26-23(29)13-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,25,27)(H,26,29)
InChIKeyNXSGZZKDHSSTJG-UHFFFAOYSA-N
XLogP3.61
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-phenylmethoxybenzoate
CID 27312952
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] thiophene-2-carboxylate
CID 8510072
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate
CID 8520271
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 8514669
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 27350415
2-chloroprop-2-enyl 2-[(2-phenylacetyl)amino]benzoate
CID 46678719
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 7428538
[2-(4-methylanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 17423024
[2-oxo-2-[(3-oxo-1-phenylbutan-2-yl)amino]ethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 46793438
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 8521287
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate
CID 30400735
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 32842036

Frequently Asked Questions

What is the IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The IUPAC name of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate (CID 30973767) is [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate.
What is the SMILES notation for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The canonical SMILES for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is CC(=O)NCc1ccc(C(=O)COC(=O)c2ccccc2NC(=O)Cc2ccccc2)s1.
What is the InChIKey of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
The InChIKey is NXSGZZKDHSSTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O5S/c1-16(27)25-14-18-11-12-22(32-18)21(28)15-31-24(30)19-9-5-6-10-20(19)26-23(29)13-17-7-3-2-4-8-17/h2-12H,13-15H2,1H3,(H,25,27)(H,26,29).
What are the key properties of [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate?
[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate has a molecular weight of 450.52 g/mol, XLogP of 3.61, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-[(2-phenylacetyl)amino]benzoate is sourced from PubChem (CID 30973767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).