2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide

C19H22N4O4S2 — CID 3242480

IUPAC2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H22N4O4S2/c1-13-19(14(2)22-21-13)29(25,26)23(15-6-8-16(27-3)9-7-15)12-18(24)20-11-17-5-4-10-28-17/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyYELFUJGDTMJJCQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.61
Rot. Bonds8

About 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide

2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 3242480) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID3242480
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCOc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
InChIInChI=1S/C19H22N4O4S2/c1-13-19(14(2)22-21-13)29(25,26)23(15-6-8-16(27-3)9-7-15)12-18(24)20-11-17-5-4-10-28-17/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyYELFUJGDTMJJCQ-UHFFFAOYSA-N
XLogP2.61
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858805
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792
2-(4-methyl-N-thiophen-2-ylsulfonylanilino)-N-(thiophen-2-ylmethyl)acetamide
CID 3236370
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 20858807
2-[2-(4-methoxyphenoxy)ethyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 27075867
N-[(2-chlorophenyl)methyl]-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3,5-dimethylanilino]acetamide
CID 20858842
4-[[[2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methoxyanilino]acetyl]amino]methyl]benzoic acid
CID 20858883
2-(4-methoxy-N-(2,3,5,6-tetramethylphenyl)sulfonylanilino)-N-propylacetamide
CID 30883222
2-(4-methoxy-N-methylsulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
CID 23800742
2-(4-fluoro-N-thiophen-2-ylsulfonylanilino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 30277815
3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(thiophen-2-ylmethyl)propanamide
CID 39050613
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
CID 20855714

Frequently Asked Questions

What is the IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide (CID 3242480) is 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide is COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1.
What is the InChIKey of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is YELFUJGDTMJJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-13-19(14(2)22-21-13)29(25,26)23(15-6-8-16(27-3)9-7-15)12-18(24)20-11-17-5-4-10-28-17/h4-10H,11-12H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide?
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 3242480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).