N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

C17H20N4O5S — CID 9331832

IUPACN-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H20N4O5S/c1-12(11-26-2)21-27(24,25)14-8-6-13(7-9-14)16(22)19-20-17(23)15-5-3-4-10-18-15/h3-10,12,21H,11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyOIHRDGYAEXAVCT-LBPRGKRZSA-N
MW392.44 g/mol
LogP0.47
Rot. Bonds7

About N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide

N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 9331832) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID9331832
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC NameN-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1
InChIInChI=1S/C17H20N4O5S/c1-12(11-26-2)21-27(24,25)14-8-6-13(7-9-14)16(22)19-20-17(23)15-5-3-4-10-18-15/h3-10,12,21H,11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1
InChIKeyOIHRDGYAEXAVCT-LBPRGKRZSA-N
XLogP0.47
TPSA126.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 97121450
4-[[(2S)-butan-2-yl]sulfamoyl]-N-pyridin-2-ylbenzamide
CID 41273948
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
N-[2-(ethylamino)-2-oxoethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9224721
N-(2,3-dimethylphenyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9342410
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 47004794

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 9331832) is N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is OIHRDGYAEXAVCT-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-12(11-26-2)21-27(24,25)14-8-6-13(7-9-14)16(22)19-20-17(23)15-5-3-4-10-18-15/h3-10,12,21H,11H2,1-2H3,(H,19,22)(H,20,23)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide?
N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 392.44 g/mol, XLogP of 0.47, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9331832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).