[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate

C21H23N3O6S — CID 46625737

IUPAC[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H23N3O6S/c1-14(19(25)23-21(27)22-13-15-6-3-2-4-7-15)30-20(26)16-8-5-9-18(12-16)31(28,29)24-17-10-11-17/h2-9,12,14,17,24H,10-11,13H2,1H3,(H2,22,23,25,27)
InChIKeySXNWWECZANWRJK-UHFFFAOYSA-N
MW445.50 g/mol
LogP1.70
Rot. Bonds8

About [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate

[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate (PubChem CID 46625737) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
PubChem CID46625737
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC Name[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
SMILESCC(OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)NC(=O)NCc1ccccc1
InChIInChI=1S/C21H23N3O6S/c1-14(19(25)23-21(27)22-13-15-6-3-2-4-7-15)30-20(26)16-8-5-9-18(12-16)31(28,29)24-17-10-11-17/h2-9,12,14,17,24H,10-11,13H2,1H3,(H2,22,23,25,27)
InChIKeySXNWWECZANWRJK-UHFFFAOYSA-N
XLogP1.70
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate with MolForge

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Related Compounds

[1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 43025432
[1-(4-bromoanilino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809117
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(cyclopropylsulfamoyl)benzoate
CID 46809147
[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55458842
[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 3-(benzylsulfamoyl)benzoate
CID 16520956
N-[2-(benzylamino)-2-oxoethyl]-3-(cyclopropylsulfamoyl)benzamide
CID 39821970
[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959179
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(ethoxycarbonylamino)benzoate
CID 46659339
(1-amino-1-oxopropan-2-yl) 3-(benzylsulfamoyl)benzoate
CID 42900603
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577637
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 4-(trifluoromethoxy)benzoate
CID 8958469
[(2R)-1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-(prop-2-enylsulfamoyl)benzoate
CID 8987385

Frequently Asked Questions

What is the IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
The IUPAC name of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate (CID 46625737) is [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate.
What is the SMILES notation for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
The canonical SMILES for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate is CC(OC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)NC(=O)NCc1ccccc1.
What is the InChIKey of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
The InChIKey is SXNWWECZANWRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-14(19(25)23-21(27)22-13-15-6-3-2-4-7-15)30-20(26)16-8-5-9-18(12-16)31(28,29)24-17-10-11-17/h2-9,12,14,17,24H,10-11,13H2,1H3,(H2,22,23,25,27).
What are the key properties of [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate?
[1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate has a molecular weight of 445.50 g/mol, XLogP of 1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylcarbamoylamino)-1-oxopropan-2-yl] 3-(cyclopropylsulfamoyl)benzoate is sourced from PubChem (CID 46625737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).