3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide

C20H26N4O4S — CID 3649370

IUPAC3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC(C)C)c2ncccn2)cc1
InChIInChI=1S/C20H26N4O4S/c1-14(2)12-18(25)23-16-6-8-17(9-7-16)29(27,28)24(19(26)13-15(3)4)20-21-10-5-11-22-20/h5-11,14-15H,12-13H2,1-4H3,(H,23,25)
InChIKeyDAJZWZVMGANEAJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.23
Rot. Bonds8

About 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide

3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide (PubChem CID 3649370) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide
PubChem CID3649370
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC(C)C)c2ncccn2)cc1
InChIInChI=1S/C20H26N4O4S/c1-14(2)12-18(25)23-16-6-8-17(9-7-16)29(27,28)24(19(26)13-15(3)4)20-21-10-5-11-22-20/h5-11,14-15H,12-13H2,1-4H3,(H,23,25)
InChIKeyDAJZWZVMGANEAJ-UHFFFAOYSA-N
XLogP3.23
TPSA109.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide
CID 19204194
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
N-(4-hydroxyphenyl)-3-methylbutanamide
CID 836029
3-methyl-N-[4-(methylamino)phenyl]butanamide
CID 63090374
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 9474697
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
3,3-diphenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide
CID 1164323
N-[4-(dimethylsulfamoyl)phenyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 2099003
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
CID 46353509
3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
2-methoxy-N-[4-(3-methylbutanoylamino)phenyl]pyridine-3-carboxamide
CID 134002839

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide (CID 3649370) is 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)N(C(=O)CC(C)C)c2ncccn2)cc1.
What is the InChIKey of 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
The InChIKey is DAJZWZVMGANEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14(2)12-18(25)23-16-6-8-17(9-7-16)29(27,28)24(19(26)13-15(3)4)20-21-10-5-11-22-20/h5-11,14-15H,12-13H2,1-4H3,(H,23,25).
What are the key properties of 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide?
3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide has a molecular weight of 418.52 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[3-methylbutanoyl(pyrimidin-2-yl)sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 3649370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).