N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide

C15H20N2O2S2 — CID 110718507

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ncsc1CCNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H20N2O2S2/c1-13-15(20-12-16-13)9-10-17-21(18,19)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12,17H,5,8-11H2,1H3
InChIKeyZISJNBVHYRCZKR-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.55
Rot. Bonds8

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110718507) has the molecular formula C15H20N2O2S2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
PubChem CID110718507
Molecular FormulaC15H20N2O2S2
Molecular Weight324.47 g/mol
Exact Mass324.10
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
SMILESCc1ncsc1CCNS(=O)(=O)CCCc1ccccc1
InChIInChI=1S/C15H20N2O2S2/c1-13-15(20-12-16-13)9-10-17-21(18,19)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12,17H,5,8-11H2,1H3
InChIKeyZISJNBVHYRCZKR-UHFFFAOYSA-N
XLogP2.55
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718502
1-(4-chlorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718503
1-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718501
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
N-benzyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 62069916
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
N-[2-(2-methylphenoxy)ethyl]-3-phenylpropane-1-sulfonamide
CID 113099122
3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 110317613
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylethanesulfonamide
CID 110739268
3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720119
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide (CID 110718507) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide is Cc1ncsc1CCNS(=O)(=O)CCCc1ccccc1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is ZISJNBVHYRCZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S2/c1-13-15(20-12-16-13)9-10-17-21(18,19)11-5-8-14-6-3-2-4-7-14/h2-4,6-7,12,17H,5,8-11H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 324.47 g/mol, XLogP of 2.55, 8 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-5-yl)ethyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110718507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).