4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

C17H23N3O3S2 — CID 110397987

IUPAC4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)cs1
InChIInChI=1S/C17H23N3O3S2/c1-18-17-20-13(12-24-17)10-11-19-25(21,22)16-8-6-15(7-9-16)23-14-4-2-3-5-14/h6-9,12,14,19H,2-5,10-11H2,1H3,(H,18,20)
InChIKeyIJJJMUYVGANLNK-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.03
Rot. Bonds8

About 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide

4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 110397987) has the molecular formula C17H23N3O3S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
PubChem CID110397987
Molecular FormulaC17H23N3O3S2
Molecular Weight381.52 g/mol
Exact Mass381.12
IUPAC Name4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)cs1
InChIInChI=1S/C17H23N3O3S2/c1-18-17-20-13(12-24-17)10-11-19-25(21,22)16-8-6-15(7-9-16)23-14-4-2-3-5-14/h6-9,12,14,19H,2-5,10-11H2,1H3,(H,18,20)
InChIKeyIJJJMUYVGANLNK-UHFFFAOYSA-N
XLogP3.03
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110398001
4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
4-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoic acid
CID 110719686
4-cyclopentyloxy-N-[2-(1H-pyrazol-5-yl)ethyl]benzenesulfonamide
CID 110731903
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
4-cyclopentyloxy-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110646346
4-cyclopentyloxy-N-[2-(2-hydroxyphenyl)ethyl]benzenesulfonamide
CID 110605334
4-cyclopentyloxy-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 110408180
4-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110398238
5-ethyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]thiophene-2-sulfonamide
CID 110397970
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
4-cyclopentyloxy-N-[3-(2,2,2-trifluoroethoxy)propyl]benzenesulfonamide
CID 87032494

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide (CID 110397987) is 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is CNc1nc(CCNS(=O)(=O)c2ccc(OC3CCCC3)cc2)cs1.
What is the InChIKey of 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is IJJJMUYVGANLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S2/c1-18-17-20-13(12-24-17)10-11-19-25(21,22)16-8-6-15(7-9-16)23-14-4-2-3-5-14/h6-9,12,14,19H,2-5,10-11H2,1H3,(H,18,20).
What are the key properties of 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide?
4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110397987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).