N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide

C19H20N2O2S2 — CID 17478229

IUPACN-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
SMILESCc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C19H20N2O2S2/c1-14-3-7-17(8-4-14)19-21-18(13-24-19)16-9-5-15(6-10-16)11-12-20-25(2,22)23/h3-10,13,20H,11-12H2,1-2H3
InChIKeyKIEQEKWKEVROAJ-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.88
Rot. Bonds6

About N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide

N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide (PubChem CID 17478229) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
PubChem CID17478229
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
SMILESCc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1
InChIInChI=1S/C19H20N2O2S2/c1-14-3-7-17(8-4-14)19-21-18(13-24-19)16-9-5-15(6-10-16)11-12-20-25(2,22)23/h3-10,13,20H,11-12H2,1-2H3
InChIKeyKIEQEKWKEVROAJ-UHFFFAOYSA-N
XLogP3.88
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]methanesulfonamide
CID 51106179
3-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]benzoic acid
CID 60529021
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9343361
N-[2-[4-[2-[(4-fluorophenyl)methylamino]-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide
CID 24603213
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596
N-(4-ethylphenyl)-2-[4-[4-[2-(methanesulfonamido)ethyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 24603193
N-[2-[5-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]thiophen-2-yl]ethyl]methanesulfonamide
CID 60528651
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]methanesulfonamide
CID 108782467
3,5-dimethyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]-1H-pyrazole-4-sulfonamide
CID 110317368
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-phenylpropanamide
CID 108738477
4-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzenesulfonamide
CID 108780120

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide (CID 17478229) is N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide is Cc1ccc(-c2nc(-c3ccc(CCNS(C)(=O)=O)cc3)cs2)cc1.
What is the InChIKey of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide?
The InChIKey is KIEQEKWKEVROAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-14-3-7-17(8-4-14)19-21-18(13-24-19)16-9-5-15(6-10-16)11-12-20-25(2,22)23/h3-10,13,20H,11-12H2,1-2H3.
What are the key properties of N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide?
N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide has a molecular weight of 372.52 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(4-methylphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]methanesulfonamide is sourced from PubChem (CID 17478229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).