N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide

C17H24N4O3S — CID 51962923

IUPACN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H24N4O3S/c1-12(11-21-14(3)9-13(2)19-21)10-18-17(22)15-5-7-16(8-6-15)20-25(4,23)24/h5-9,12,20H,10-11H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyGIRVDOCFROHNAK-GFCCVEGCSA-N
MW364.47 g/mol
LogP1.94
Rot. Bonds7

About N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide (PubChem CID 51962923) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide.

Molecular Properties

Compound NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
PubChem CID51962923
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
SMILESCc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C17H24N4O3S/c1-12(11-21-14(3)9-13(2)19-21)10-18-17(22)15-5-7-16(8-6-15)20-25(4,23)24/h5-9,12,20H,10-11H2,1-4H3,(H,18,22)/t12-/m1/s1
InChIKeyGIRVDOCFROHNAK-GFCCVEGCSA-N
XLogP1.94
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
tert-butyl N-[4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]carbamate
CID 47047540
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 55783644
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028953
(2R)-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylsulfonylpropanamide
CID 94028952
4-[[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55913760
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 94031928
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 51953853
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,6-dimethylpyridine-3-carboxamide
CID 47057757

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide?
The IUPAC name of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide (CID 51962923) is N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide.
What is the SMILES notation for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide?
The canonical SMILES for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide is Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(NS(C)(=O)=O)cc2)n1.
What is the InChIKey of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide?
The InChIKey is GIRVDOCFROHNAK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-12(11-21-14(3)9-13(2)19-21)10-18-17(22)15-5-7-16(8-6-15)20-25(4,23)24/h5-9,12,20H,10-11H2,1-4H3,(H,18,22)/t12-/m1/s1.
What are the key properties of N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide?
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide has a molecular weight of 364.47 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide is sourced from PubChem (CID 51962923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).