[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate

C18H20ClN3O6S2 — CID 24588007

IUPAC[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H20ClN3O6S2/c1-10(2)20-18(25)21-16(23)11(3)28-17(24)12-6-4-5-7-13(12)22-30(26,27)15-9-8-14(19)29-15/h4-11,22H,1-3H3,(H2,20,21,23,25)
InChIKeyHXMJFSAKNCEPCG-UHFFFAOYSA-N
MW473.96 g/mol
LogP2.98
Rot. Bonds7

About [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate (PubChem CID 24588007) has the molecular formula C18H20ClN3O6S2 and a molecular weight of 473.96 g/mol. Its IUPAC name is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
PubChem CID24588007
Molecular FormulaC18H20ClN3O6S2
Molecular Weight473.96 g/mol
Exact Mass473.05
IUPAC Name[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
SMILESCC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H20ClN3O6S2/c1-10(2)20-18(25)21-16(23)11(3)28-17(24)12-6-4-5-7-13(12)22-30(26,27)15-9-8-14(19)29-15/h4-11,22H,1-3H3,(H2,20,21,23,25)
InChIKeyHXMJFSAKNCEPCG-UHFFFAOYSA-N
XLogP2.98
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.96
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate with MolForge

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Related Compounds

[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(methanesulfonamido)benzoate
CID 46646668
[1-[(9,10-dioxoanthracen-2-yl)amino]-1-oxopropan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate
CID 5191915
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfonylbenzoate
CID 9307981
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(4-chlorobenzoyl)benzoate
CID 26732079
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)sulfonylamino]benzoate
CID 42900642
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959481
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959482
[(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(difluoromethoxy)benzoate
CID 8540587
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 16539374
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664694
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 4-chloro-2-fluorobenzoate
CID 46627687
N-[2-(bromomethyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 113271462

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
The IUPAC name of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate (CID 24588007) is [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate.
What is the SMILES notation for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
The canonical SMILES for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate is CC(C)NC(=O)NC(=O)C(C)OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
The InChIKey is HXMJFSAKNCEPCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O6S2/c1-10(2)20-18(25)21-16(23)11(3)28-17(24)12-6-4-5-7-13(12)22-30(26,27)15-9-8-14(19)29-15/h4-11,22H,1-3H3,(H2,20,21,23,25).
What are the key properties of [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate?
[1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate has a molecular weight of 473.96 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[(5-chlorothiophen-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 24588007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).