[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate

C21H19N3O6S2 — CID 24587875

IUPAC[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H19N3O6S2/c1-14(19(25)23-21(27)22-16-6-3-2-4-7-16)30-20(26)15-9-11-17(12-10-15)24-32(28,29)18-8-5-13-31-18/h2-14,24H,1H3,(H2,22,23,25,27)
InChIKeyXYQPRPGUKJTQKM-UHFFFAOYSA-N
MW473.53 g/mol
LogP3.44
Rot. Bonds7

About [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate

[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate (PubChem CID 24587875) has the molecular formula C21H19N3O6S2 and a molecular weight of 473.53 g/mol. Its IUPAC name is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate.

Molecular Properties

Compound Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
PubChem CID24587875
Molecular FormulaC21H19N3O6S2
Molecular Weight473.53 g/mol
Exact Mass473.07
IUPAC Name[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
SMILESCC(OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)NC(=O)Nc1ccccc1
InChIInChI=1S/C21H19N3O6S2/c1-14(19(25)23-21(27)22-16-6-3-2-4-7-16)30-20(26)15-9-11-17(12-10-15)24-32(28,29)18-8-5-13-31-18/h2-14,24H,1H3,(H2,22,23,25,27)
InChIKeyXYQPRPGUKJTQKM-UHFFFAOYSA-N
XLogP3.44
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(2R)-1-anilino-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 97067701
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 97064358
[(2R)-1-[4-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 26916538
[(2R)-1-[4-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 26916539
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2389509
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 5228591
[1-(N-methylanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 55352238
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 3891136
[1-oxo-1-(4-pyrrolidin-1-ylsulfonylanilino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 4223413
[(2R)-1-[(2-methoxydibenzofuran-3-yl)amino]-1-oxopropan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2450054
[(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-(thiophen-2-ylsulfonylamino)benzoate
CID 2447274
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 4-(thiophene-2-carbonylamino)benzoate
CID 46815289

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate?
The IUPAC name of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate (CID 24587875) is [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate.
What is the SMILES notation for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate?
The canonical SMILES for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate is CC(OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)NC(=O)Nc1ccccc1.
What is the InChIKey of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate?
The InChIKey is XYQPRPGUKJTQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S2/c1-14(19(25)23-21(27)22-16-6-3-2-4-7-16)30-20(26)15-9-11-17(12-10-15)24-32(28,29)18-8-5-13-31-18/h2-14,24H,1H3,(H2,22,23,25,27).
What are the key properties of [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate?
[1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate has a molecular weight of 473.53 g/mol, XLogP of 3.44, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(phenylcarbamoylamino)propan-2-yl] 4-(thiophen-2-ylsulfonylamino)benzoate is sourced from PubChem (CID 24587875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).