N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

C14H18N4O5S — CID 20888594

IUPACN-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)cc1OC
InChIInChI=1S/C14H18N4O5S/c1-18(24(20,21)14-7-15-9-16-14)8-13(19)17-10-4-5-11(22-2)12(6-10)23-3/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyKZRUCWBFFLHFEH-UHFFFAOYSA-N
MW354.39 g/mol
LogP0.69
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide

N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (PubChem CID 20888594) has the molecular formula C14H18N4O5S and a molecular weight of 354.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
PubChem CID20888594
Molecular FormulaC14H18N4O5S
Molecular Weight354.39 g/mol
Exact Mass354.10
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)cc1OC
InChIInChI=1S/C14H18N4O5S/c1-18(24(20,21)14-7-15-9-16-14)8-13(19)17-10-4-5-11(22-2)12(6-10)23-3/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyKZRUCWBFFLHFEH-UHFFFAOYSA-N
XLogP0.69
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]urea
CID 6539194
N-(4-ethoxyphenyl)-N-methyl-1H-imidazole-5-sulfonamide
CID 20938153
N~1~-(2,5-diethoxyphenyl)-N~2~-(1H-imidazol-4-ylsulfonyl)-N~2~-methylglycinamide
CID 3236865
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1H-imidazol-5-ylsulfonyl)piperidine-3-carboxamide
CID 5308794
[1-(1H-imidazol-5-ylsulfonyl)piperidin-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 5309632
N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N-methyl-1H-imidazole-5-sulfonamide
CID 9551091
[1-(1H-imidazol-5-ylsulfonyl)piperidin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 16020407
2-[4-(pyrrolidin-1-ylsulfonyl)-1H-imidazol-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16027149
2-[4-(Morpholine-4-sulfonyl)-1H-imidazol-1-YL]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 20949794
2-[1H-imidazol-5-ylsulfonyl(methyl)amino]-N-p-phenetyl-acetamide
CID 16011827
1-(1H-imidazol-4-ylsulfonyl)-4-(4-methoxyphenyl)piperazine
CID 16195464
N-(3,4-dimethoxyphenyl)-1-methyl-1H-imidazole-4-sulfonamide
CID 20958579

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide (CID 20888594) is N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
The InChIKey is KZRUCWBFFLHFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O5S/c1-18(24(20,21)14-7-15-9-16-14)8-13(19)17-10-4-5-11(22-2)12(6-10)23-3/h4-7,9H,8H2,1-3H3,(H,15,16)(H,17,19).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide has a molecular weight of 354.39 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[1H-imidazol-5-ylsulfonyl(methyl)amino]acetamide is sourced from PubChem (CID 20888594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).