3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide

C19H26N4O3S — CID 51953853

IUPAC3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1
InChIInChI=1S/C19H26N4O3S/c1-13(12-23-15(3)9-14(2)21-23)11-20-19(24)16-5-4-6-18(10-16)27(25,26)22-17-7-8-17/h4-6,9-10,13,17,22H,7-8,11-12H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyPLFJYVBUYPLMBX-ZDUSSCGKSA-N
MW390.51 g/mol
LogP2.01
Rot. Bonds8

About 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide

3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide (PubChem CID 51953853) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
PubChem CID51953853
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1
InChIInChI=1S/C19H26N4O3S/c1-13(12-23-15(3)9-14(2)21-23)11-20-19(24)16-5-4-6-18(10-16)27(25,26)22-17-7-8-17/h4-6,9-10,13,17,22H,7-8,11-12H2,1-3H3,(H,20,24)/t13-/m0/s1
InChIKeyPLFJYVBUYPLMBX-ZDUSSCGKSA-N
XLogP2.01
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.01
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
3-(cyclopropylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041364
(2R)-N-[3-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 51953886
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
CID 51962923
N-(3-aminobutyl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119495504
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51953858
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
4-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(dimethylsulfamoyl)benzamide
CID 55783644
3-[(3-chlorophenyl)sulfonylamino]-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]propanamide
CID 55834250
3-(cyclopentylsulfamoyl)-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041602

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide (CID 51953853) is 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide is Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
The InChIKey is PLFJYVBUYPLMBX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13(12-23-15(3)9-14(2)21-23)11-20-19(24)16-5-4-6-18(10-16)27(25,26)22-17-7-8-17/h4-6,9-10,13,17,22H,7-8,11-12H2,1-3H3,(H,20,24)/t13-/m0/s1.
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide?
3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide has a molecular weight of 390.51 g/mol, XLogP of 2.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide is sourced from PubChem (CID 51953853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).