N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

C24H30N4O3S — CID 24667507

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CCNS(=O)(=O)c3ccc(C(C)C)cc3)c2C)cc1
InChIInChI=1S/C24H30N4O3S/c1-16(2)20-8-12-22(13-9-20)32(30,31)25-15-14-23(29)26-24-18(4)27-28(19(24)5)21-10-6-17(3)7-11-21/h6-13,16,25H,14-15H2,1-5H3,(H,26,29)
InChIKeyFNPJGTPAZZHBBP-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.23
Rot. Bonds8

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (PubChem CID 24667507) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
PubChem CID24667507
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)CCNS(=O)(=O)c3ccc(C(C)C)cc3)c2C)cc1
InChIInChI=1S/C24H30N4O3S/c1-16(2)20-8-12-22(13-9-20)32(30,31)25-15-14-23(29)26-24-18(4)27-28(19(24)5)21-10-6-17(3)7-11-21/h6-13,16,25H,14-15H2,1-5H3,(H,26,29)
InChIKeyFNPJGTPAZZHBBP-UHFFFAOYSA-N
XLogP4.23
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 24667508
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 24672665
N-(2-hydroxyphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 17450655
N-(3-fluoro-4-methylphenyl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24537348
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 24648488
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 38199854
(4-propan-2-ylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168546
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 4-methylpentanoate
CID 7847954
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
3-[(4-nitrophenyl)sulfonylamino]-N-(4-propan-2-ylphenyl)propanamide
CID 17192941

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide (CID 24667507) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is Cc1ccc(-n2nc(C)c(NC(=O)CCNS(=O)(=O)c3ccc(C(C)C)cc3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
The InChIKey is FNPJGTPAZZHBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-16(2)20-8-12-22(13-9-20)32(30,31)25-15-14-23(29)26-24-18(4)27-28(19(24)5)21-10-6-17(3)7-11-21/h6-13,16,25H,14-15H2,1-5H3,(H,26,29).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide has a molecular weight of 454.60 g/mol, XLogP of 4.23, 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-(4-methylphenyl)pyrazol-4-yl]-3-[(4-propan-2-ylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24667507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).