N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide

C20H21N3O4S — CID 51269492

IUPACN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1nccn1C
InChIInChI=1S/C20H21N3O4S/c1-23-13-12-21-19(23)18(16-6-4-5-7-17(16)27-2)22-20(24)14-8-10-15(11-9-14)28(3,25)26/h4-13,18H,1-3H3,(H,22,24)
InChIKeyNRNBGYKSFHCPDN-UHFFFAOYSA-N
MW399.47 g/mol
LogP2.35
Rot. Bonds6

About N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide

N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide (PubChem CID 51269492) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
PubChem CID51269492
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC NameN-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide
SMILESCOc1ccccc1C(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1nccn1C
InChIInChI=1S/C20H21N3O4S/c1-23-13-12-21-19(23)18(16-6-4-5-7-17(16)27-2)22-20(24)14-8-10-15(11-9-14)28(3,25)26/h4-13,18H,1-3H3,(H,22,24)
InChIKeyNRNBGYKSFHCPDN-UHFFFAOYSA-N
XLogP2.35
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 25388797
4-fluoro-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51269372
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfinylbenzamide
CID 51269524
4-cyano-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923268
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297
3-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylbenzamide
CID 51269549
3-(difluoromethoxy)-4-methoxy-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55759400
3-fluoro-N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 40939583
methyl 4-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]benzoate
CID 25352670
4-(1,3-dithian-2-yl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 24660553
4-methoxy-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]benzamide
CID 110440273
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 16668817

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide?
The IUPAC name of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide (CID 51269492) is N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide.
What is the SMILES notation for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide?
The canonical SMILES for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide is COc1ccccc1C(NC(=O)c1ccc(S(C)(=O)=O)cc1)c1nccn1C.
What is the InChIKey of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide?
The InChIKey is NRNBGYKSFHCPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-23-13-12-21-19(23)18(16-6-4-5-7-17(16)27-2)22-20(24)14-8-10-15(11-9-14)28(3,25)26/h4-13,18H,1-3H3,(H,22,24).
What are the key properties of N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide?
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide has a molecular weight of 399.47 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-methylsulfonylbenzamide is sourced from PubChem (CID 51269492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).