[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate

C20H25N3O5S — CID 7477382

IUPAC[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)ccc1C
InChIInChI=1S/C20H25N3O5S/c1-5-23(6-2)29(26,27)18-13-16(11-10-14(18)3)22-19(24)15(4)28-20(25)17-9-7-8-12-21-17/h7-13,15H,5-6H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyRLCKDWKXTRTPFZ-OAHLLOKOSA-N
MW419.50 g/mol
LogP2.60
Rot. Bonds8

About [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate

[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate (PubChem CID 7477382) has the molecular formula C20H25N3O5S and a molecular weight of 419.50 g/mol. Its IUPAC name is [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate
PubChem CID7477382
Molecular FormulaC20H25N3O5S
Molecular Weight419.50 g/mol
Exact Mass419.15
IUPAC Name[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)ccc1C
InChIInChI=1S/C20H25N3O5S/c1-5-23(6-2)29(26,27)18-13-16(11-10-14(18)3)22-19(24)15(4)28-20(25)17-9-7-8-12-21-17/h7-13,15H,5-6H2,1-4H3,(H,22,24)/t15-/m1/s1
InChIKeyRLCKDWKXTRTPFZ-OAHLLOKOSA-N
XLogP2.60
TPSA105.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
CID 51968652
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7776044
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477255
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(3-fluorophenoxy)propanamide
CID 112781624
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
(2R)-2-(4-cyanophenoxy)-N-[3-(diethylsulfamoyl)-4-methylphenyl]propanamide
CID 7892595
[(2S)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772027
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2404618
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] pyridine-2-carboxylate
CID 7866567
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate?
The IUPAC name of [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate (CID 7477382) is [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate.
What is the SMILES notation for [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate?
The canonical SMILES for [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2ccccn2)ccc1C.
What is the InChIKey of [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate?
The InChIKey is RLCKDWKXTRTPFZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-5-23(6-2)29(26,27)18-13-16(11-10-14(18)3)22-19(24)15(4)28-20(25)17-9-7-8-12-21-17/h7-13,15H,5-6H2,1-4H3,(H,22,24)/t15-/m1/s1.
What are the key properties of [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate?
[(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate has a molecular weight of 419.50 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl] pyridine-2-carboxylate is sourced from PubChem (CID 7477382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).