N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide

C20H17N3O3S2 — CID 35885039

IUPACN,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4sccc34)cc2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-14-3-9-17(10-4-14)28(24,25)23(2)15-5-7-16(8-6-15)26-19-18-11-12-27-20(18)22-13-21-19/h3-13H,1-2H3
InChIKeyOWTNSKHSWYKUIZ-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.62
Rot. Bonds5

About N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide

N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide (PubChem CID 35885039) has the molecular formula C20H17N3O3S2 and a molecular weight of 411.51 g/mol. Its IUPAC name is N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide
PubChem CID35885039
Molecular FormulaC20H17N3O3S2
Molecular Weight411.51 g/mol
Exact Mass411.07
IUPAC NameN,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4sccc34)cc2)cc1
InChIInChI=1S/C20H17N3O3S2/c1-14-3-9-17(10-4-14)28(24,25)23(2)15-5-7-16(8-6-15)26-19-18-11-12-27-20(18)22-13-21-19/h3-13H,1-2H3
InChIKeyOWTNSKHSWYKUIZ-UHFFFAOYSA-N
XLogP4.62
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylsulfanylphenoxy)thieno[2,3-d]pyrimidine
CID 9109087
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
2-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)acetic acid
CID 61395524
4-(2-chloro-5-methylphenoxy)thieno[2,3-d]pyrimidine
CID 2399341
N-(4-bromophenyl)-N,4-dimethylbenzenesulfonamide
CID 13394525
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
N-methyl-2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247189
4-(3-chloro-4-fluorophenoxy)thieno[2,3-d]pyrimidine
CID 8895911
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
N,4-dimethyl-N-[4-methyl-3-(2-methylthiophen-3-yl)phenyl]benzenesulfonamide
CID 46831772
2-[4-[methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 17247227
4-(dimethylsulfamoyl)-N-thieno[2,3-d]pyrimidin-4-ylbenzamide
CID 7615360

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide (CID 35885039) is N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ncnc4sccc34)cc2)cc1.
What is the InChIKey of N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide?
The InChIKey is OWTNSKHSWYKUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S2/c1-14-3-9-17(10-4-14)28(24,25)23(2)15-5-7-16(8-6-15)26-19-18-11-12-27-20(18)22-13-21-19/h3-13H,1-2H3.
What are the key properties of N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide?
N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide has a molecular weight of 411.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(4-thieno[2,3-d]pyrimidin-4-yloxyphenyl)benzenesulfonamide is sourced from PubChem (CID 35885039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).