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

C16H22N2O2S2 — CID 110421328

IUPACN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-3-4-10-22(19,20)17-12-16-18-13(2)15(21-16)11-14-8-6-5-7-9-14/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeySYFFIMNDHCBKSE-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.26
Rot. Bonds8

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

N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide (PubChem CID 110421328) has the molecular formula C16H22N2O2S2 and a molecular weight of 338.50 g/mol. Its IUPAC name is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
PubChem CID110421328
Molecular FormulaC16H22N2O2S2
Molecular Weight338.50 g/mol
Exact Mass338.11
IUPAC NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C16H22N2O2S2/c1-3-4-10-22(19,20)17-12-16-18-13(2)15(21-16)11-14-8-6-5-7-9-14/h5-9,17H,3-4,10-12H2,1-2H3
InChIKeySYFFIMNDHCBKSE-UHFFFAOYSA-N
XLogP3.26
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]ethanesulfonamide
CID 110645419
2-[(butylsulfonylamino)methyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 55249373
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-phenylmethanesulfonamide
CID 110446172
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
CID 110421255
N-[5-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butane-1-sulfonamide
CID 110428303
N-benzylpentadecane-1-sulfonamide
CID 14025944
N-[[4-methyl-2-(2-phenylethyl)-1,3-thiazol-5-yl]methyl]butan-1-amine
CID 82428035
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-[2-(5-benzyl-4-methyl-1,3-thiazol-2-yl)ethyl]-3-methylbenzenesulfonamide
CID 110645576
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-phenoxyethanesulfonamide
CID 91956267
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]butane-1-sulfonamide
CID 110395145
N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]butane-1-sulfonamide
CID 108782465

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
The IUPAC name of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide (CID 110421328) is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide.
What is the SMILES notation for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
The canonical SMILES for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCc1nc(C)c(Cc2ccccc2)s1.
What is the InChIKey of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
The InChIKey is SYFFIMNDHCBKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S2/c1-3-4-10-22(19,20)17-12-16-18-13(2)15(21-16)11-14-8-6-5-7-9-14/h5-9,17H,3-4,10-12H2,1-2H3.
What are the key properties of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide?
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide has a molecular weight of 338.50 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]butane-1-sulfonamide is sourced from PubChem (CID 110421328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).