4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide

C24H27ClN2O4S2 — CID 67370252

IUPAC4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide
SMILESCOc1cc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1scnc1C
InChIInChI=1S/C24H27ClN2O4S2/c1-17-24(32-16-26-17)12-13-31-22-11-6-18(14-23(22)30-2)15-27(20-4-3-5-20)33(28,29)21-9-7-19(25)8-10-21/h6-11,14,16,20H,3-5,12-13,15H2,1-2H3
InChIKeyZHZGZTOHBJNPSZ-UHFFFAOYSA-N
MW507.08 g/mol
LogP5.48
Rot. Bonds10

About 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide

4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide (PubChem CID 67370252) has the molecular formula C24H27ClN2O4S2 and a molecular weight of 507.08 g/mol. Its IUPAC name is 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide
PubChem CID67370252
Molecular FormulaC24H27ClN2O4S2
Molecular Weight507.08 g/mol
Exact Mass506.11
IUPAC Name4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide
SMILESCOc1cc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1scnc1C
InChIInChI=1S/C24H27ClN2O4S2/c1-17-24(32-16-26-17)12-13-31-22-11-6-18(14-23(22)30-2)15-27(20-4-3-5-20)33(28,29)21-9-7-19(25)8-10-21/h6-11,14,16,20H,3-5,12-13,15H2,1-2H3
InChIKeyZHZGZTOHBJNPSZ-UHFFFAOYSA-N
XLogP5.48
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 18455131
4-chloro-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 67369714
3,4-difluoro-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 18455042
N-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-4-(tetrazol-1-yl)benzenesulfonamide
CID 654569
2-(4-fluorophenyl)-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 26336442
3-fluoro-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzenesulfonyl chloride
CID 82916083
4-chloro-N-[(4-chloro-3-methoxyphenyl)methyl]-N-(2-oxoazepan-3-yl)benzenesulfonamide
CID 69491384
N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]-2-(5-methylpyrazol-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 42441172
4-chloro-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylbenzenesulfonamide
CID 8801231
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5133110
4-chloro-N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110715910
N-[(3,4-dimethoxyphenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
CID 46300366

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide (CID 67370252) is 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide is COc1cc(CN(C2CCC2)S(=O)(=O)c2ccc(Cl)cc2)ccc1OCCc1scnc1C.
What is the InChIKey of 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide?
The InChIKey is ZHZGZTOHBJNPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O4S2/c1-17-24(32-16-26-17)12-13-31-22-11-6-18(14-23(22)30-2)15-27(20-4-3-5-20)33(28,29)21-9-7-19(25)8-10-21/h6-11,14,16,20H,3-5,12-13,15H2,1-2H3.
What are the key properties of 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide?
4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide has a molecular weight of 507.08 g/mol, XLogP of 5.48, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclobutyl-N-[[3-methoxy-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 67370252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).