N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

C22H26N4O3S — CID 46696472

IUPACN-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C22H26N4O3S/c1-16(2)26(4)30(28,29)19-12-10-18(11-13-19)22(27)24-20(17-8-6-5-7-9-17)21-23-14-15-25(21)3/h5-16,20H,1-4H3,(H,24,27)
InChIKeyRUPQVCRWJZIWTG-UHFFFAOYSA-N
MW426.54 g/mol
LogP2.97
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide

N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 46696472) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID46696472
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2nccn2C)cc1
InChIInChI=1S/C22H26N4O3S/c1-16(2)26(4)30(28,29)19-12-10-18(11-13-19)22(27)24-20(17-8-6-5-7-9-17)21-23-14-15-25(21)3/h5-16,20H,1-4H3,(H,24,27)
InChIKeyRUPQVCRWJZIWTG-UHFFFAOYSA-N
XLogP2.97
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)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-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-3-methylsulfonylbenzamide
CID 40821023
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-pyrazol-1-ylbenzamide
CID 51926493
4-(difluoromethoxy)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 25324448
2-chloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]-5-[methyl(phenyl)sulfamoyl]benzamide
CID 42921397
4-[4-[[(1-methylimidazol-2-yl)-phenylmethyl]carbamoyl]phenoxy]benzamide
CID 56545477
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(R)-(4-chlorophenyl)-(1-methylimidazol-2-yl)methyl]-4-phenylbenzamide
CID 27034422
3-[ethyl(phenyl)sulfamoyl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 55461455

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 46696472) is N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1ccc(C(=O)NC(c2ccccc2)c2nccn2C)cc1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is RUPQVCRWJZIWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-16(2)26(4)30(28,29)19-12-10-18(11-13-19)22(27)24-20(17-8-6-5-7-9-17)21-23-14-15-25(21)3/h5-16,20H,1-4H3,(H,24,27).
What are the key properties of N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 426.54 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 46696472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).