N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide

C21H24N2O3S2 — CID 141057792

IUPACN-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide
SMILESCc1cc(OCc2ccccc2)c(N(C(C)C)S(=O)(=O)c2nccs2)cc1C
InChIInChI=1S/C21H24N2O3S2/c1-15(2)23(28(24,25)21-22-10-11-27-21)19-12-16(3)17(4)13-20(19)26-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3
InChIKeyCEBVLMXEDNBFSK-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.94
Rot. Bonds7

About N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide

N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide (PubChem CID 141057792) has the molecular formula C21H24N2O3S2 and a molecular weight of 416.57 g/mol. Its IUPAC name is N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide
PubChem CID141057792
Molecular FormulaC21H24N2O3S2
Molecular Weight416.57 g/mol
Exact Mass416.12
IUPAC NameN-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide
SMILESCc1cc(OCc2ccccc2)c(N(C(C)C)S(=O)(=O)c2nccs2)cc1C
InChIInChI=1S/C21H24N2O3S2/c1-15(2)23(28(24,25)21-22-10-11-27-21)19-12-16(3)17(4)13-20(19)26-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3
InChIKeyCEBVLMXEDNBFSK-UHFFFAOYSA-N
XLogP4.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
The IUPAC name of N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide (CID 141057792) is N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
The canonical SMILES for N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide is Cc1cc(OCc2ccccc2)c(N(C(C)C)S(=O)(=O)c2nccs2)cc1C.
What is the InChIKey of N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
The InChIKey is CEBVLMXEDNBFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S2/c1-15(2)23(28(24,25)21-22-10-11-27-21)19-12-16(3)17(4)13-20(19)26-14-18-8-6-5-7-9-18/h5-13,15H,14H2,1-4H3.
What are the key properties of N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide?
N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide has a molecular weight of 416.57 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-2-phenylmethoxyphenyl)-N-propan-2-yl-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 141057792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).