(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide

C15H20N4O3S — CID 100725773

IUPAC(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide
SMILESCc1ccccc1-n1nccc1NS(=O)(=O)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C15H20N4O3S/c1-11-7-5-6-8-13(11)19-14(9-10-16-19)17-23(21,22)12(2)15(20)18(3)4/h5-10,12,17H,1-4H3/t12-/m0/s1
InChIKeyWLFSZWQURNPAMJ-LBPRGKRZSA-N
MW336.42 g/mol
LogP1.40
Rot. Bonds5

About (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide

(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide (PubChem CID 100725773) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide
PubChem CID100725773
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide
SMILESCc1ccccc1-n1nccc1NS(=O)(=O)[C@@H](C)C(=O)N(C)C
InChIInChI=1S/C15H20N4O3S/c1-11-7-5-6-8-13(11)19-14(9-10-16-19)17-23(21,22)12(2)15(20)18(3)4/h5-10,12,17H,1-4H3/t12-/m0/s1
InChIKeyWLFSZWQURNPAMJ-LBPRGKRZSA-N
XLogP1.40
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-methylsulfanylpropanamide
CID 96539727
(E)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-phenylethenesulfonamide
CID 95932062
2-ethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]propanamide
CID 56789802
N'-[(2S)-1-cyanopropan-2-yl]-N'-methyl-N-[2-(2-methylphenyl)pyrazol-3-yl]oxamide
CID 124574173
(2R)-N-[2-(2-methylphenyl)pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 95980051
1-(3-hydroxybutyl)-3-[2-(2-methylphenyl)pyrazol-3-yl]urea
CID 84598091
4-chloro-N-[2-(2-methylphenyl)pyrazol-3-yl]-3-methylsulfonylbenzenesulfonamide
CID 122143423
2-(2,4-difluorophenyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 97051340
(2R)-N,N-dimethyl-2-[(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)sulfamoyl]propanamide
CID 100632157
2,4,5-trimethoxy-N-[2-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 75467532
2-(hydroxymethyl)-N-[2-(2-methylphenyl)pyrazol-3-yl]pyrrolidine-1-carboxamide
CID 75442974
3-amino-N-[2-(2-methylphenyl)pyrazol-3-yl]cyclopentane-1-carboxamide
CID 119822942

Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide?
The IUPAC name of (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide (CID 100725773) is (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide.
What is the SMILES notation for (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide?
The canonical SMILES for (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide is Cc1ccccc1-n1nccc1NS(=O)(=O)[C@@H](C)C(=O)N(C)C.
What is the InChIKey of (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide?
The InChIKey is WLFSZWQURNPAMJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-11-7-5-6-8-13(11)19-14(9-10-16-19)17-23(21,22)12(2)15(20)18(3)4/h5-10,12,17H,1-4H3/t12-/m0/s1.
What are the key properties of (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide?
(2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide has a molecular weight of 336.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2-[[2-(2-methylphenyl)pyrazol-3-yl]sulfamoyl]propanamide is sourced from PubChem (CID 100725773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).