N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C16H21N3O3S — CID 31844345

IUPACN-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O3S/c1-13-4-6-15(7-5-13)23(21,22)9-8-16(20)18(2)11-14-10-17-19(3)12-14/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyZIHKWHIOKWXCMY-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.55
Rot. Bonds6

About N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 31844345) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID31844345
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC NameN-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C16H21N3O3S/c1-13-4-6-15(7-5-13)23(21,22)9-8-16(20)18(2)11-14-10-17-19(3)12-14/h4-7,10,12H,8-9,11H2,1-3H3
InChIKeyZIHKWHIOKWXCMY-UHFFFAOYSA-N
XLogP1.55
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 31844345) is N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is Cc1ccc(S(=O)(=O)CCC(=O)N(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is ZIHKWHIOKWXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-13-4-6-15(7-5-13)23(21,22)9-8-16(20)18(2)11-14-10-17-19(3)12-14/h4-7,10,12H,8-9,11H2,1-3H3.
What are the key properties of N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 335.43 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 31844345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).