3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide

C20H30N4O3S — CID 46353509

IUPAC3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H30N4O3S/c1-14(2)13-20(25)21-17-7-9-18(10-8-17)28(26,27)23(5)12-11-19-15(3)22-24(6)16(19)4/h7-10,14H,11-13H2,1-6H3,(H,21,25)
InChIKeyVENSOWPXPKYFME-UHFFFAOYSA-N
MW406.55 g/mol
LogP2.88
Rot. Bonds8

About 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide

3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide (PubChem CID 46353509) has the molecular formula C20H30N4O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
PubChem CID46353509
Molecular FormulaC20H30N4O3S
Molecular Weight406.55 g/mol
Exact Mass406.20
IUPAC Name3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
SMILESCc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1
InChIInChI=1S/C20H30N4O3S/c1-14(2)13-20(25)21-17-7-9-18(10-8-17)28(26,27)23(5)12-11-19-15(3)22-24(6)16(19)4/h7-10,14H,11-13H2,1-6H3,(H,21,25)
InChIKeyVENSOWPXPKYFME-UHFFFAOYSA-N
XLogP2.88
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.55
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 46353506
N-[4-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl-methylsulfamoyl]phenyl]-3-methylbutanamide
CID 46353507
N,4-dimethyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353456
3-methyl-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]butanamide
CID 959379
N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
4-ethoxy-N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 46353522
N-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]naphthalene-2-sulfonamide
CID 46353462
N-[4-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]amino]phenyl]-3-methylbutanamide
CID 38950843
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667058
3-(4-bromophenyl)-1-methyl-1-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 53007915
4-[(2R)-butan-2-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26011051
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 33182512

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide (CID 46353509) is 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide is Cc1nn(C)c(C)c1CCN(C)S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1.
What is the InChIKey of 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide?
The InChIKey is VENSOWPXPKYFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3S/c1-14(2)13-20(25)21-17-7-9-18(10-8-17)28(26,27)23(5)12-11-19-15(3)22-24(6)16(19)4/h7-10,14H,11-13H2,1-6H3,(H,21,25).
What are the key properties of 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide?
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide has a molecular weight of 406.55 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide is sourced from PubChem (CID 46353509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).