N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide

C15H20N4O4S — CID 97121450

IUPACN-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ncc[nH]2)cc1
InChIInChI=1S/C15H20N4O4S/c1-11(10-23-2)19-24(21,22)13-5-3-12(4-6-13)15(20)18-9-14-16-7-8-17-14/h3-8,11,19H,9-10H2,1-2H3,(H,16,17)(H,18,20)/t11-/m0/s1
InChIKeyNBCQPQDYYSQZMJ-NSHDSACASA-N
MW352.42 g/mol
LogP0.65
Rot. Bonds8

About N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide

N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide (PubChem CID 97121450) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
PubChem CID97121450
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ncc[nH]2)cc1
InChIInChI=1S/C15H20N4O4S/c1-11(10-23-2)19-24(21,22)13-5-3-12(4-6-13)15(20)18-9-14-16-7-8-17-14/h3-8,11,19H,9-10H2,1-2H3,(H,16,17)(H,18,20)/t11-/m0/s1
InChIKeyNBCQPQDYYSQZMJ-NSHDSACASA-N
XLogP0.65
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(ethylamino)-2-oxoethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9224721
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
N-[(2S)-1-methoxypropan-2-yl]-4-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 9331832
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
4-acetyl-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 64529323
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
4-tert-butyl-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 42913111
N-[(1S)-1-(4-chlorophenyl)ethyl]-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218496
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzamide
CID 9218502
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
6-chloro-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]pyridine-3-carboxamide
CID 2547899
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide (CID 97121450) is N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide is COC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCc2ncc[nH]2)cc1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
The InChIKey is NBCQPQDYYSQZMJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-11(10-23-2)19-24(21,22)13-5-3-12(4-6-13)15(20)18-9-14-16-7-8-17-14/h3-8,11,19H,9-10H2,1-2H3,(H,16,17)(H,18,20)/t11-/m0/s1.
What are the key properties of N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide?
N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide has a molecular weight of 352.42 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]benzamide is sourced from PubChem (CID 97121450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).