N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide

C18H20N6O3S — CID 97201214

IUPACN-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2cnn(C)c2)c1)c1ccncn1
InChIInChI=1S/C18H20N6O3S/c1-13(17-6-7-19-12-21-17)23-28(26,27)16-5-3-4-15(8-16)18(25)20-9-14-10-22-24(2)11-14/h3-8,10-13,23H,9H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeyVPRPNCBNSAWFIK-ZDUSSCGKSA-N
MW400.46 g/mol
LogP1.18
Rot. Bonds7

About N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide

N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide (PubChem CID 97201214) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide
PubChem CID97201214
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide
SMILESC[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2cnn(C)c2)c1)c1ccncn1
InChIInChI=1S/C18H20N6O3S/c1-13(17-6-7-19-12-21-17)23-28(26,27)16-5-3-4-15(8-16)18(25)20-9-14-10-22-24(2)11-14/h3-8,10-13,23H,9H2,1-2H3,(H,20,25)/t13-/m0/s1
InChIKeyVPRPNCBNSAWFIK-ZDUSSCGKSA-N
XLogP1.18
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-3-(1,2-oxazol-5-ylmethylsulfamoyl)benzamide
CID 72933072
3-[[(1S)-1-phenylethyl]sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9116780
N-[(1-methylpyrazol-4-yl)methyl]-3-(piperidin-4-ylsulfamoyl)benzamide
CID 72866477
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
3-bromo-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292435
3-[(4-methylphenyl)sulfonylamino]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 154630397
(1-methylpyrazol-4-yl)methyl 3-(propan-2-ylsulfamoyl)benzoate
CID 78797354
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzimidazole-5-carboxamide
CID 110469163
3-(dimethylamino)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47375354
3-(propan-2-ylsulfamoyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]benzamide
CID 46400175
3-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 76928206
N-[(1-methylpyrazol-4-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 47364492

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide (CID 97201214) is N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide is C[C@H](NS(=O)(=O)c1cccc(C(=O)NCc2cnn(C)c2)c1)c1ccncn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide?
The InChIKey is VPRPNCBNSAWFIK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-13(17-6-7-19-12-21-17)23-28(26,27)16-5-3-4-15(8-16)18(25)20-9-14-10-22-24(2)11-14/h3-8,10-13,23H,9H2,1-2H3,(H,20,25)/t13-/m0/s1.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide?
N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide has a molecular weight of 400.46 g/mol, XLogP of 1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-3-[[(1S)-1-pyrimidin-4-ylethyl]sulfamoyl]benzamide is sourced from PubChem (CID 97201214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).