N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide

C15H18N2O3S2 — CID 166265986

IUPACN-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide
SMILESCOc1cc(S(=O)(=O)N(CC2CCC2)c2ccccc2)sn1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-10-15(21-16-14)22(18,19)17(11-12-6-5-7-12)13-8-3-2-4-9-13/h2-4,8-10,12H,5-7,11H2,1H3
InChIKeyOCYOTZLJOITJKO-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.15
Rot. Bonds6

About N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide

N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide (PubChem CID 166265986) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide
PubChem CID166265986
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC NameN-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide
SMILESCOc1cc(S(=O)(=O)N(CC2CCC2)c2ccccc2)sn1
InChIInChI=1S/C15H18N2O3S2/c1-20-14-10-15(21-16-14)22(18,19)17(11-12-6-5-7-12)13-8-3-2-4-9-13/h2-4,8-10,12H,5-7,11H2,1H3
InChIKeyOCYOTZLJOITJKO-UHFFFAOYSA-N
XLogP3.15
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59098125
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CID 110753053
N-ethyl-6-methoxy-N-phenylpyridine-3-sulfonamide
CID 5268434
(3-methoxy-1,2-thiazol-5-yl)methanesulfonyl chloride
CID 122163314
N-(4-cyclobutyl-4-oxobutyl)-4-methoxy-N-phenylbenzenesulfonamide
CID 139532553
N-phenyl-N-(piperidin-3-ylmethyl)quinoline-8-sulfonamide
CID 22506630
N-(cyclopropylmethyl)-N-(4-methoxyphenyl)ethenesulfonamide
CID 172557272
methyl-[(3R)-3-[(N-methylsulfonylanilino)methyl]piperidin-1-yl]borinic acid
CID 59991008
2-amino-N-(cyclobutylmethyl)-N-phenylacetamide;hydrochloride
CID 119337195
3,5-dimethyl-N-(oxolan-2-ylmethyl)-N-phenyl-1H-pyrazole-4-sulfonamide
CID 110753063
2-[N-(cyclohexylmethyl)anilino]acetic acid
CID 60839263
N-(cyclopropylmethyl)-N-[4-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 71490904

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide?
The IUPAC name of N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide (CID 166265986) is N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide.
What is the SMILES notation for N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide?
The canonical SMILES for N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide is COc1cc(S(=O)(=O)N(CC2CCC2)c2ccccc2)sn1.
What is the InChIKey of N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide?
The InChIKey is OCYOTZLJOITJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-20-14-10-15(21-16-14)22(18,19)17(11-12-6-5-7-12)13-8-3-2-4-9-13/h2-4,8-10,12H,5-7,11H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide?
N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide has a molecular weight of 338.45 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-methoxy-N-phenyl-1,2-thiazole-5-sulfonamide is sourced from PubChem (CID 166265986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).