3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide

C15H18N2O3S2 — CID 121122775

IUPAC3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(C)c(CNC(=O)CCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H18N2O3S2/c1-11-14(21-12(2)17-11)10-16-15(18)8-9-22(19,20)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,18)
InChIKeyZHJSKLORCCHSCW-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.24
Rot. Bonds6

About 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide

3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 121122775) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID121122775
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1nc(C)c(CNC(=O)CCS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C15H18N2O3S2/c1-11-14(21-12(2)17-11)10-16-15(18)8-9-22(19,20)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,18)
InChIKeyZHJSKLORCCHSCW-UHFFFAOYSA-N
XLogP2.24
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]acetamide
CID 119891864
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
CID 121122681
3-(benzenesulfonyl)-N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]propanamide
CID 121137869
3-(benzenesulfonyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)propanamide
CID 18560845
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-phenylpropanamide;dihydrochloride
CID 120597144
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-(4-phenylphenoxy)acetamide
CID 121122800
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 121122601
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 110678823
3-(benzenesulfonyl)-N-(pyridin-3-ylmethyl)propanamide
CID 17310054
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-(naphthalen-1-ylmethyl)urea
CID 121122901
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 121122799
N-[2-(benzylsulfamoyl)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 55726790

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide (CID 121122775) is 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1nc(C)c(CNC(=O)CCS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is ZHJSKLORCCHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-11-14(21-12(2)17-11)10-16-15(18)8-9-22(19,20)13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H,16,18).
What are the key properties of 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide?
3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 338.45 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 121122775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).