N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide

C15H20N2O3S2 — CID 75388847

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CC(C)N(C)S(=O)(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2O3S2/c1-11(9-13-5-7-14(20-4)8-6-13)17(3)22(18,19)15-10-16-12(2)21-15/h5-8,10-11H,9H2,1-4H3
InChIKeyYBERCBFFPBVHRZ-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.71
Rot. Bonds6

About N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide

N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide (PubChem CID 75388847) has the molecular formula C15H20N2O3S2 and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
PubChem CID75388847
Molecular FormulaC15H20N2O3S2
Molecular Weight340.47 g/mol
Exact Mass340.09
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide
SMILESCOc1ccc(CC(C)N(C)S(=O)(=O)c2cnc(C)s2)cc1
InChIInChI=1S/C15H20N2O3S2/c1-11(9-13-5-7-14(20-4)8-6-13)17(3)22(18,19)15-10-16-12(2)21-15/h5-8,10-11H,9H2,1-4H3
InChIKeyYBERCBFFPBVHRZ-UHFFFAOYSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide (CID 75388847) is N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide is COc1ccc(CC(C)N(C)S(=O)(=O)c2cnc(C)s2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
The InChIKey is YBERCBFFPBVHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S2/c1-11(9-13-5-7-14(20-4)8-6-13)17(3)22(18,19)15-10-16-12(2)21-15/h5-8,10-11H,9H2,1-4H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide?
N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide has a molecular weight of 340.47 g/mol, XLogP of 2.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]-N,2-dimethyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 75388847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).