N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C22H24N4O6S — CID 5308377

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H24N4O6S/c1-14-22(15(2)25(3)24-14)33(28,29)26(17-6-8-18(30-4)9-7-17)12-21(27)23-16-5-10-19-20(11-16)32-13-31-19/h5-11H,12-13H2,1-4H3,(H,23,27)
InChIKeyCIEANSJVFJGPDS-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.61
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 5308377) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID5308377
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1
InChIInChI=1S/C22H24N4O6S/c1-14-22(15(2)25(3)24-14)33(28,29)26(17-6-8-18(30-4)9-7-17)12-21(27)23-16-5-10-19-20(11-16)32-13-31-19/h5-11H,12-13H2,1-4H3,(H,23,27)
InChIKeyCIEANSJVFJGPDS-UHFFFAOYSA-N
XLogP2.61
TPSA111.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-Benzo[1,3]dioxol-5-yl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 648823
N-(2H-1,3-Benzodioxol-5-YL)-3-(3,5-dimethyl-1H-pyrazol-1-YL)butanamide
CID 24792833
N-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711707
N-(1,3-benzodioxol-5-yl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetamide
CID 5301172
1-(1,3-Benzodioxol-5-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]urea
CID 970527
N~1~-(3-methoxyphenyl)-N~2~-(4-methylphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3239480
N~1~-(3-methoxyphenyl)-N~2~-(4-methoxyphenyl)-N~2~-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]glycinamide
CID 3241905
N-1,3-benzodioxol-5-yl-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 3242763
N-(2H-1,3-Benzodioxol-5-YL)-2-{N-[4-(propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide
CID 5307328
2-[1,3-benzodioxol-5-yl-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(4-methylphenyl)acetamide
CID 5307437
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5307831
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 5308611

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 5308377) is N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is CIEANSJVFJGPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-14-22(15(2)25(3)24-14)33(28,29)26(17-6-8-18(30-4)9-7-17)12-21(27)23-16-5-10-19-20(11-16)32-13-31-19/h5-11H,12-13H2,1-4H3,(H,23,27).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 472.52 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 5308377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).