[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C19H19N3O6S — CID 2638074

IUPAC[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESC[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)NC(N)=O
InChIInChI=1S/C19H19N3O6S/c1-12(17(23)21-19(20)25)28-18(24)14-6-4-7-15(11-14)29(26,27)22-10-9-13-5-2-3-8-16(13)22/h2-8,11-12H,9-10H2,1H3,(H3,20,21,23,25)/t12-/m1/s1
InChIKeyYLVIILBBJQLKED-GFCCVEGCSA-N
MW417.44 g/mol
LogP1.18
Rot. Bonds5

About [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 2638074) has the molecular formula C19H19N3O6S and a molecular weight of 417.44 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID2638074
Molecular FormulaC19H19N3O6S
Molecular Weight417.44 g/mol
Exact Mass417.10
IUPAC Name[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESC[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)NC(N)=O
InChIInChI=1S/C19H19N3O6S/c1-12(17(23)21-19(20)25)28-18(24)14-6-4-7-15(11-14)29(26,27)22-10-9-13-5-2-3-8-16(13)22/h2-8,11-12H,9-10H2,1H3,(H3,20,21,23,25)/t12-/m1/s1
InChIKeyYLVIILBBJQLKED-GFCCVEGCSA-N
XLogP1.18
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate with MolForge

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Related Compounds

[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate
CID 2638520
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23824667
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoate
CID 2638069
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2674993
[1-(carbamoylamino)-1-oxopropan-2-yl] 3-morpholin-4-ylsulfonylbenzoate
CID 5029148
[2-(methylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8663402
(4-acetamidophenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 26188182
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
[2-(tert-butylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2406740
(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551424
[2-(2-butan-2-ylanilino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 4248989

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 2638074) is [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)NC(N)=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is YLVIILBBJQLKED-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3O6S/c1-12(17(23)21-19(20)25)28-18(24)14-6-4-7-15(11-14)29(26,27)22-10-9-13-5-2-3-8-16(13)22/h2-8,11-12H,9-10H2,1H3,(H3,20,21,23,25)/t12-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 417.44 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 2638074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).