N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C20H24N4O5S2 — CID 42924236

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1cc(OC)cc(C(NC(=O)CN(C)S(=O)(=O)c2cccs2)c2nccn2C)c1
InChIInChI=1S/C20H24N4O5S2/c1-23-8-7-21-20(23)19(14-10-15(28-3)12-16(11-14)29-4)22-17(25)13-24(2)31(26,27)18-6-5-9-30-18/h5-12,19H,13H2,1-4H3,(H,22,25)
InChIKeyIOBKTJAYWQICOL-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.03
Rot. Bonds9

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 42924236) has the molecular formula C20H24N4O5S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID42924236
Molecular FormulaC20H24N4O5S2
Molecular Weight464.57 g/mol
Exact Mass464.12
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1cc(OC)cc(C(NC(=O)CN(C)S(=O)(=O)c2cccs2)c2nccn2C)c1
InChIInChI=1S/C20H24N4O5S2/c1-23-8-7-21-20(23)19(14-10-15(28-3)12-16(11-14)29-4)22-17(25)13-24(2)31(26,27)18-6-5-9-30-18/h5-12,19H,13H2,1-4H3,(H,22,25)
InChIKeyIOBKTJAYWQICOL-UHFFFAOYSA-N
XLogP2.03
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
2-[(5-chlorothiophen-2-yl)sulfonyl-methylamino]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 18102280
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-3-ylpropanamide
CID 18151131
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-yloxypropanamide
CID 42951989
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 42924236) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is COc1cc(OC)cc(C(NC(=O)CN(C)S(=O)(=O)c2cccs2)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is IOBKTJAYWQICOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S2/c1-23-8-7-21-20(23)19(14-10-15(28-3)12-16(11-14)29-4)22-17(25)13-24(2)31(26,27)18-6-5-9-30-18/h5-12,19H,13H2,1-4H3,(H,22,25).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.03, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 42924236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).