N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide

C14H18N2O2S2 — CID 110739412

IUPACN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESCc1cnc(CCNS(=O)(=O)CCc2ccccc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-12-11-15-14(19-12)7-9-16-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3
InChIKeyFMCLKCITTCCQSC-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 110739412) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID110739412
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESCc1cnc(CCNS(=O)(=O)CCc2ccccc2)s1
InChIInChI=1S/C14H18N2O2S2/c1-12-11-15-14(19-12)7-9-16-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3
InChIKeyFMCLKCITTCCQSC-UHFFFAOYSA-N
XLogP2.16
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 110739374
(2R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylpropane-1-sulfonamide
CID 97073521
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
(E)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethenesulfonamide
CID 75407835
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-phenylethanamine
CID 46784215
2-[2-(dimethylsulfamoylamino)ethyl]-5-methyl-1,3-thiazole
CID 110739376
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110739296
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532096
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110718507
1-(2-chlorophenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110739043

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide (CID 110739412) is N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide is Cc1cnc(CCNS(=O)(=O)CCc2ccccc2)s1.
What is the InChIKey of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is FMCLKCITTCCQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-12-11-15-14(19-12)7-9-16-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,11,16H,7-10H2,1H3.
What are the key properties of N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110739412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).