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

C24H28N4O5S — CID 5307328

IUPACN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H28N4O5S/c1-15(2)18-6-9-20(10-7-18)28(34(30,31)24-16(3)26-27(5)17(24)4)13-23(29)25-19-8-11-21-22(12-19)33-14-32-21/h6-12,15H,13-14H2,1-5H3,(H,25,29)
InChIKeyLGQUXHWIWDFVNO-UHFFFAOYSA-N
MW484.58 g/mol
LogP3.72
Rot. Bonds7

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

N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 5307328) has the molecular formula C24H28N4O5S and a molecular weight of 484.58 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID5307328
Molecular FormulaC24H28N4O5S
Molecular Weight484.58 g/mol
Exact Mass484.18
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1
InChIInChI=1S/C24H28N4O5S/c1-15(2)18-6-9-20(10-7-18)28(34(30,31)24-16(3)26-27(5)17(24)4)13-23(29)25-19-8-11-21-22(12-19)33-14-32-21/h6-12,15H,13-14H2,1-5H3,(H,25,29)
InChIKeyLGQUXHWIWDFVNO-UHFFFAOYSA-N
XLogP3.72
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]acetamide
CID 3239135
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
2-[1,3-benzodioxol-5-yl-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]amino]-N-(4-methylphenyl)acetamide
CID 5307437
N-(1,3-benzodioxol-5-yl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 5307557
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 5309847
N-benzyl-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 9551359
N-(4-Ethylphenyl)-2-[N-(4-methoxyphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 20858747
N-(3,5-Dimethoxyphenyl)-2-[N-(4-methylphenyl)1,3,5-trimethyl-1H-pyrazole-4-sulfonamido]acetamide
CID 3236927

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 5307328) is N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is LGQUXHWIWDFVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5S/c1-15(2)18-6-9-20(10-7-18)28(34(30,31)24-16(3)26-27(5)17(24)4)13-23(29)25-19-8-11-21-22(12-19)33-14-32-21/h6-12,15H,13-14H2,1-5H3,(H,25,29).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 484.58 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 5307328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).