N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide

C21H24N4O4S — CID 55456688

IUPACN-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide
SMILESCOc1cccc(C(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)c2nccn2C)c1
InChIInChI=1S/C21H24N4O4S/c1-14-8-9-17(23-15(2)26)13-19(14)30(27,28)24-20(21-22-10-11-25(21)3)16-6-5-7-18(12-16)29-4/h5-13,20,24H,1-4H3,(H,23,26)
InChIKeyLNHRNKBFMDEJNR-UHFFFAOYSA-N
MW428.51 g/mol
LogP2.76
Rot. Bonds7

About N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide

N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide (PubChem CID 55456688) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide
PubChem CID55456688
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC NameN-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide
SMILESCOc1cccc(C(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)c2nccn2C)c1
InChIInChI=1S/C21H24N4O4S/c1-14-8-9-17(23-15(2)26)13-19(14)30(27,28)24-20(21-22-10-11-25(21)3)16-6-5-7-18(12-16)29-4/h5-13,20,24H,1-4H3,(H,23,26)
InChIKeyLNHRNKBFMDEJNR-UHFFFAOYSA-N
XLogP2.76
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-acetamido-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 42923239
2,5-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541230
2,6-dichloro-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541241
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]thiophene-2-sulfonamide
CID 51274932
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 55598113
3,4-diethoxy-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 24541270
2-(4-cyanoanilino)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 47079560
1-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-pyridin-3-ylurea
CID 41022660
N-[4-methyl-3-(1-pyridin-3-ylethylsulfamoyl)phenyl]acetamide
CID 47007924
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
1-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(3-nitrophenyl)urea
CID 17493786
1-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-[(1R)-1-phenylethyl]urea
CID 36515652

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide?
The IUPAC name of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide (CID 55456688) is N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide is COc1cccc(C(NS(=O)(=O)c2cc(NC(C)=O)ccc2C)c2nccn2C)c1.
What is the InChIKey of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide?
The InChIKey is LNHRNKBFMDEJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-14-8-9-17(23-15(2)26)13-19(14)30(27,28)24-20(21-22-10-11-25(21)3)16-6-5-7-18(12-16)29-4/h5-13,20,24H,1-4H3,(H,23,26).
What are the key properties of N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide?
N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide has a molecular weight of 428.51 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]sulfamoyl]-4-methylphenyl]acetamide is sourced from PubChem (CID 55456688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).