N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide

C16H22N2O3S2 — CID 71691448

IUPACN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C16H22N2O3S2/c1-3-4-11-23(19,20)17-10-9-16-18-15(12-22-16)13-5-7-14(21-2)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyWOQAGNMKBDKJIG-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.08
Rot. Bonds9

About N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide

N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide (PubChem CID 71691448) has the molecular formula C16H22N2O3S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
PubChem CID71691448
Molecular FormulaC16H22N2O3S2
Molecular Weight354.50 g/mol
Exact Mass354.11
IUPAC NameN-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C16H22N2O3S2/c1-3-4-11-23(19,20)17-10-9-16-18-15(12-22-16)13-5-7-14(21-2)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3
InChIKeyWOQAGNMKBDKJIG-UHFFFAOYSA-N
XLogP3.08
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]butane-1-sulfonamide
CID 110317579
2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethylazanium
CID 7241954
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641223
4-methoxy-N-[2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 110317708
1-(4-methoxyphenyl)-3-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]urea
CID 71691444
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]methanesulfonamide
CID 110393596
N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]butane-1-sulfonamide
CID 110440601
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
CID 120558492
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
2-(1,3-dioxoisoindol-2-yl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]acetamide
CID 39071753
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,2-diphenylacetamide
CID 39071719

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide (CID 71691448) is N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide?
The InChIKey is WOQAGNMKBDKJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S2/c1-3-4-11-23(19,20)17-10-9-16-18-15(12-22-16)13-5-7-14(21-2)8-6-13/h5-8,12,17H,3-4,9-11H2,1-2H3.
What are the key properties of N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide?
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide has a molecular weight of 354.50 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]butane-1-sulfonamide is sourced from PubChem (CID 71691448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).