N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

C20H24N4O5S2 — CID 47074150

IUPACN-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(Cn2ncc(C)c2NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C20H24N4O5S2/c1-14-11-21-24(12-15-7-8-16(28-3)17(10-15)29-4)20(14)22-18(25)13-23(2)31(26,27)19-6-5-9-30-19/h5-11H,12-13H2,1-4H3,(H,22,25)
InChIKeyQVAOBAILYSINSR-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.58
Rot. Bonds9

About N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide

N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (PubChem CID 47074150) has the molecular formula C20H24N4O5S2 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
PubChem CID47074150
Molecular FormulaC20H24N4O5S2
Molecular Weight464.57 g/mol
Exact Mass464.12
IUPAC NameN-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
SMILESCOc1ccc(Cn2ncc(C)c2NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC
InChIInChI=1S/C20H24N4O5S2/c1-14-11-21-24(12-15-7-8-16(28-3)17(10-15)29-4)20(14)22-18(25)13-23(2)31(26,27)19-6-5-9-30-19/h5-11H,12-13H2,1-4H3,(H,22,25)
InChIKeyQVAOBAILYSINSR-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide
CID 60585679
N-(2-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4117119
2-(aminomethyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749277
N-(3,4-diethoxyphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4820945
ethyl 5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]thiadiazole-4-carboxylate
CID 55643015
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 60585893
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 115594805
N-(4-bromo-3-methylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 4824237
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-(2-propoxyphenyl)acetamide
CID 24581765
methyl 2-[methyl(thiophen-2-ylsulfonyl)amino]acetate
CID 3312195
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 46564173
N-(3-bromophenyl)-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 2479907

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide (CID 47074150) is N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide.
What is the SMILES notation for N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The canonical SMILES for N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is COc1ccc(Cn2ncc(C)c2NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1OC.
What is the InChIKey of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
The InChIKey is QVAOBAILYSINSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O5S2/c1-14-11-21-24(12-15-7-8-16(28-3)17(10-15)29-4)20(14)22-18(25)13-23(2)31(26,27)19-6-5-9-30-19/h5-11H,12-13H2,1-4H3,(H,22,25).
What are the key properties of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide?
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide has a molecular weight of 464.57 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide is sourced from PubChem (CID 47074150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).