N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide

C15H21N3O3S2 — CID 110398001

IUPACN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C15H21N3O3S2/c1-11(2)21-13-4-6-14(7-5-13)23(19,20)17-9-8-12-10-22-15(16-3)18-12/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyKCSXXXBCXKGEFU-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.49
Rot. Bonds8

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

N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 110398001) has the molecular formula C15H21N3O3S2 and a molecular weight of 355.49 g/mol. Its IUPAC name is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID110398001
Molecular FormulaC15H21N3O3S2
Molecular Weight355.49 g/mol
Exact Mass355.10
IUPAC NameN-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCNc1nc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cs1
InChIInChI=1S/C15H21N3O3S2/c1-11(2)21-13-4-6-14(7-5-13)23(19,20)17-9-8-12-10-22-15(16-3)18-12/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18)
InChIKeyKCSXXXBCXKGEFU-UHFFFAOYSA-N
XLogP2.49
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397943
4-cyclopentyloxy-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397987
4-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethylsulfamoyl]benzoic acid
CID 110719686
N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 110661634
4-fluoro-3-methyl-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]benzenesulfonamide
CID 110397955
N-[2-(4-methoxyphenyl)ethyl]-4-propan-2-yloxybenzenesulfonamide
CID 110755601
2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 110386278
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-methoxy-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110398238
N-[2-(methylamino)propyl]-4-propan-2-yloxybenzenesulfonamide
CID 120824310
2-[2-(benzenesulfonamido)-1,3-thiazol-4-yl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 108802061

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide (CID 110398001) is N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide is CNc1nc(CCNS(=O)(=O)c2ccc(OC(C)C)cc2)cs1.
What is the InChIKey of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is KCSXXXBCXKGEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S2/c1-11(2)21-13-4-6-14(7-5-13)23(19,20)17-9-8-12-10-22-15(16-3)18-12/h4-7,10-11,17H,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide?
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 355.49 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 110398001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).