4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

C24H28N4O4S — CID 24504644

IUPAC4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H28N4O4S/c1-19(29)21-11-13-23(14-12-21)33(31,32)27(3)15-7-10-24(30)26(2)17-20-16-25-28(18-20)22-8-5-4-6-9-22/h4-6,8-9,11-14,16,18H,7,10,15,17H2,1-3H3
InChIKeyVFXTYCLZLRFJFY-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.13
Rot. Bonds10

About 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide

4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide (PubChem CID 24504644) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
PubChem CID24504644
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H28N4O4S/c1-19(29)21-11-13-23(14-12-21)33(31,32)27(3)15-7-10-24(30)26(2)17-20-16-25-28(18-20)22-8-5-4-6-9-22/h4-6,8-9,11-14,16,18H,7,10,15,17H2,1-3H3
InChIKeyVFXTYCLZLRFJFY-UHFFFAOYSA-N
XLogP3.13
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 25487197
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 18112539
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 17491199
4-(2,5-dioxoimidazolidin-1-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide
CID 8961676
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-benzylbutanamide
CID 40695620
2-[(4-fluorophenyl)methyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166271
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8961867
N-methyl-2-[methyl(2-phenoxyethyl)amino]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 18166222

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide (CID 24504644) is 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide is CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
The InChIKey is VFXTYCLZLRFJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-19(29)21-11-13-23(14-12-21)33(31,32)27(3)15-7-10-24(30)26(2)17-20-16-25-28(18-20)22-8-5-4-6-9-22/h4-6,8-9,11-14,16,18H,7,10,15,17H2,1-3H3.
What are the key properties of 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide?
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide has a molecular weight of 468.58 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonyl-methylamino]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 24504644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).