N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide

C14H18N2O2S2 — CID 110739268

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESCc1csc(CCNS(=O)(=O)CCc2ccccc2)n1
InChIInChI=1S/C14H18N2O2S2/c1-12-11-19-14(16-12)7-9-15-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3
InChIKeyOFSYUWFOJWCMTF-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide (PubChem CID 110739268) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
PubChem CID110739268
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
SMILESCc1csc(CCNS(=O)(=O)CCc2ccccc2)n1
InChIInChI=1S/C14H18N2O2S2/c1-12-11-19-14(16-12)7-9-15-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3
InChIKeyOFSYUWFOJWCMTF-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]-2-phenylethanesulfonamide
CID 110739412
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 110440601
1-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-phenylbutane-1,2-diamine
CID 114929723
3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 110317613
N-[2-(3-methylphenyl)ethyl]-2-phenylethanesulfonamide
CID 110288627
3,4-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110739236
3-(4-methyl-1,3-thiazol-2-yl)-N-(3-phenylpropyl)propanamide
CID 110388471
4-amino-2,6-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79570352
N-[2-(5-methylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 9188631
4-(cyanomethyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 79203421
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylethanesulfonamide
CID 7216713

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide (CID 110739268) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide is Cc1csc(CCNS(=O)(=O)CCc2ccccc2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
The InChIKey is OFSYUWFOJWCMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-12-11-19-14(16-12)7-9-15-20(17,18)10-8-13-5-3-2-4-6-13/h2-6,11,15H,7-10H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide?
N-[2-(4-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-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 110739268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).