N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

C23H28N4O3S — CID 134034026

IUPACN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C23H28N4O3S/c1-16-10-11-22(17(2)14-16)31(29,30)25-13-12-23(28)24-15-21-18(3)26-27(19(21)4)20-8-6-5-7-9-20/h5-11,14,25H,12-13,15H2,1-4H3,(H,24,28)
InChIKeyPCCNZLRGUOITON-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.09
Rot. Bonds8

About N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 134034026) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
PubChem CID134034026
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C23H28N4O3S/c1-16-10-11-22(17(2)14-16)31(29,30)25-13-12-23(28)24-15-21-18(3)26-27(19(21)4)20-8-6-5-7-9-20/h5-11,14,25H,12-13,15H2,1-4H3,(H,24,28)
InChIKeyPCCNZLRGUOITON-UHFFFAOYSA-N
XLogP3.09
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxypropanamide
CID 35760836
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 134013965
3-[(2,4-dimethylphenyl)sulfonylamino]-N-(2-hydroxyethyl)propanamide
CID 78783386
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 7028274
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-phenoxybutanamide
CID 46653199
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]propanamide
CID 24532348
3-[(2,4-dimethylphenyl)sulfonylamino]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51164021
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-fluorophenoxy)propanamide
CID 134013923
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 112992116
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19565843

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide (CID 134034026) is N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is PCCNZLRGUOITON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-16-10-11-22(17(2)14-16)31(29,30)25-13-12-23(28)24-15-21-18(3)26-27(19(21)4)20-8-6-5-7-9-20/h5-11,14,25H,12-13,15H2,1-4H3,(H,24,28).
What are the key properties of N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide?
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 440.57 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 134034026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).