N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide

C20H22N4O3S — CID 92673554

IUPACN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-15-21-12-13-24(15)19-8-4-16(5-9-19)14-22-20(25)17-6-10-18(11-7-17)23(2)28(3,26)27/h4-13H,14H2,1-3H3,(H,22,25)
InChIKeyWRJMFPAIVUVIRX-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.51
Rot. Bonds6

About N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide

N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 92673554) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
PubChem CID92673554
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C20H22N4O3S/c1-15-21-12-13-24(15)19-8-4-16(5-9-19)14-22-20(25)17-6-10-18(11-7-17)23(2)28(3,26)27/h4-13H,14H2,1-3H3,(H,22,25)
InChIKeyWRJMFPAIVUVIRX-UHFFFAOYSA-N
XLogP2.51
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]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

4-[benzyl(methylsulfonyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 43908963
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92676444
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133210880
4-[methyl(methylsulfonyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 900511
1-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-3-[3-[methyl(methylsulfonyl)amino]phenyl]thiourea
CID 100640381
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]furan-3-carboxamide
CID 53159097
3,4-dimethoxy-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679900
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 53159101
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
2-[benzenesulfonyl(methyl)amino]-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 92679888
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]butanamide
CID 92650798
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 56863738

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide (CID 92673554) is N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide is Cc1nccn1-c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is WRJMFPAIVUVIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-15-21-12-13-24(15)19-8-4-16(5-9-19)14-22-20(25)17-6-10-18(11-7-17)23(2)28(3,26)27/h4-13H,14H2,1-3H3,(H,22,25).
What are the key properties of N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide?
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 398.49 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-4-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 92673554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).