N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

C24H30N4O5S — CID 20858817

IUPACN-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C24H30N4O5S/c1-15(2)18-7-10-20(11-8-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-9-12-21(32-5)22(13-19)33-6/h7-13,15H,14H2,1-6H3,(H,25,29)(H,26,27)
InChIKeyJLGLVMKQUSEAKC-UHFFFAOYSA-N
MW486.59 g/mol
LogP4.00
Rot. Bonds9

About N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (PubChem CID 20858817) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
PubChem CID20858817
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
SMILESCOc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC
InChIInChI=1S/C24H30N4O5S/c1-15(2)18-7-10-20(11-8-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-9-12-21(32-5)22(13-19)33-6/h7-13,15H,14H2,1-6H3,(H,25,29)(H,26,27)
InChIKeyJLGLVMKQUSEAKC-UHFFFAOYSA-N
XLogP4.00
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 20858834
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868381
N-(4-chlorophenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858792
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 1095230
N-(3,5-dimethylphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methoxyanilino]acetamide
CID 20858805
2-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1107867
2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylanilino]-N-(3-ethylphenyl)acetamide
CID 20855714
N-(3,4-dimethoxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 998735
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343967
2-(N-(2-methoxy-5-methylphenyl)sulfonyl-3,5-dimethylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 126393608
N-(3,4-dimethoxyphenyl)-2-(N-methylsulfonylanilino)acetamide
CID 3542360
N-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868383

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (CID 20858817) is N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is COc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The InChIKey is JLGLVMKQUSEAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-15(2)18-7-10-20(11-8-18)28(34(30,31)24-16(3)26-27-17(24)4)14-23(29)25-19-9-12-21(32-5)22(13-19)33-6/h7-13,15H,14H2,1-6H3,(H,25,29)(H,26,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide has a molecular weight of 486.59 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[N-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is sourced from PubChem (CID 20858817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).