N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

C24H30N4O3S — CID 50760317

IUPACN-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C24H30N4O3S/c1-15-8-16(2)11-21(10-15)25-23(29)14-28(22-12-17(3)9-18(4)13-22)32(30,31)24-19(5)26-27(7)20(24)6/h8-13H,14H2,1-7H3,(H,25,29)
InChIKeyUXMXCNFRCOBKKE-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.10
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide

N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (PubChem CID 50760317) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
PubChem CID50760317
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
SMILESCc1cc(C)cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)c1
InChIInChI=1S/C24H30N4O3S/c1-15-8-16(2)11-21(10-15)25-23(29)14-28(22-12-17(3)9-18(4)13-22)32(30,31)24-19(5)26-27(7)20(24)6/h8-13H,14H2,1-7H3,(H,25,29)
InChIKeyUXMXCNFRCOBKKE-UHFFFAOYSA-N
XLogP4.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 20930102
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 20858729
2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)-N-(2-phenylpropyl)acetamide
CID 20930109
2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,5-dimethylphenyl)acetamide
CID 51345362
N-tert-butyl-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760200
N-(3,4-dimethoxyphenyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868381
N-(5-chloro-2-pyridinyl)-2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 50760379
N-(4-methyl-2-pyridinyl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 122175690
N-(2,4-dimethylphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858755
2-(4-methyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetic acid
CID 126459099
N-(5-methyl-1H-pyrazol-3-yl)-2-(4-propan-2-yl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20868383
N-(5-chloro-2-methoxyphenyl)-2-(4-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide
CID 20858772

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide (CID 50760317) is N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is Cc1cc(C)cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)nn(C)c2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
The InChIKey is UXMXCNFRCOBKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-15-8-16(2)11-21(10-15)25-23(29)14-28(22-12-17(3)9-18(4)13-22)32(30,31)24-19(5)26-27(7)20(24)6/h8-13H,14H2,1-7H3,(H,25,29).
What are the key properties of N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide?
N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide has a molecular weight of 454.60 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-(3,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylanilino)acetamide is sourced from PubChem (CID 50760317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).