3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide

C13H14N2O3S2 — CID 6488978

IUPAC3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1nccs1
InChIInChI=1S/C13H14N2O3S2/c16-12(15-13-14-7-8-19-13)6-9-20(17,18)10-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,14,15,16)
InChIKeyDWEACDMAKFEUGH-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.09
Rot. Bonds6

About 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide

3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 6488978) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID6488978
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Name3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1nccs1
InChIInChI=1S/C13H14N2O3S2/c16-12(15-13-14-7-8-19-13)6-9-20(17,18)10-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,14,15,16)
InChIKeyDWEACDMAKFEUGH-UHFFFAOYSA-N
XLogP2.09
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Phenyl-N-(1,3-thiazol-2-yl)acetamide
CID 562362
3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
(2R)-3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-(2-thiazolyl)propanamide
CID 9886086
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
N-Phenethyl-N'-thiazol-2-yl-oxalamide
CID 1870873
Mls000757107
CID 324088
3-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2915589
2-(benzenesulfonyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2991996
3-methyl-3-phenyl-N-(1,3-thiazol-2-yl)pentanamide
CID 3824898
3-Benzenesulfonyl-N-(5-nitro-thiazol-2-yl)-propionamide
CID 6493257
3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7254594
Acetamide, 2-(4-chlorobenzylsulfanyl)-N-thiazol-2-yl-
CID 709144

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide (CID 6488978) is 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nccs1.
What is the InChIKey of 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is DWEACDMAKFEUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c16-12(15-13-14-7-8-19-13)6-9-20(17,18)10-11-4-2-1-3-5-11/h1-5,7-8H,6,9-10H2,(H,14,15,16).
What are the key properties of 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide?
3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 310.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 6488978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).