5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide

C17H13N3O3S3 — CID 138038342

IUPAC5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4ccsc34)cc2)s1
InChIInChI=1S/C17H13N3O3S3/c1-11-2-7-15(25-11)26(21,22)20-12-3-5-13(6-4-12)23-17-16-14(8-9-24-16)18-10-19-17/h2-10,20H,1H3
InChIKeyHGURMYZEJHBVIC-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.65
Rot. Bonds5

About 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide

5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide (PubChem CID 138038342) has the molecular formula C17H13N3O3S3 and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide
PubChem CID138038342
Molecular FormulaC17H13N3O3S3
Molecular Weight403.51 g/mol
Exact Mass403.01
IUPAC Name5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4ccsc34)cc2)s1
InChIInChI=1S/C17H13N3O3S3/c1-11-2-7-15(25-11)26(21,22)20-12-3-5-13(6-4-12)23-17-16-14(8-9-24-16)18-10-19-17/h2-10,20H,1H3
InChIKeyHGURMYZEJHBVIC-UHFFFAOYSA-N
XLogP4.65
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methyl-N-(4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 47310549
N-[4-(2-aminoethoxy)phenyl]-5-methylthiophene-2-sulfonamide
CID 28754838
5-methyl-N-[4-(4-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986064
N-(1,3-benzoxazol-5-yl)-5-methylthiophene-2-sulfonamide
CID 110728755
N-(3,5-dimethoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 18191077
N-[4-(bromomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 113271534
5-methyl-N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986153
N-[4-(benzimidazol-1-yl)phenyl]-5-methylthiophene-2-sulfonamide
CID 55382208
N-[4-[[4-(4-methoxyanilino)-6-methylpyrimidin-2-yl]amino]phenyl]-5-methylthiophene-2-sulfonamide
CID 122287141
4-(2,4-dimethylphenoxy)thieno[3,2-d]pyrimidine
CID 24561427
5-chloro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-2-sulfonamide
CID 122309092
N-[4-(ethylaminomethyl)phenyl]-5-methylthiophene-2-sulfonamide
CID 106911287

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide (CID 138038342) is 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncnc4ccsc34)cc2)s1.
What is the InChIKey of 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide?
The InChIKey is HGURMYZEJHBVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O3S3/c1-11-2-7-15(25-11)26(21,22)20-12-3-5-13(6-4-12)23-17-16-14(8-9-24-16)18-10-19-17/h2-10,20H,1H3.
What are the key properties of 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide?
5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-thieno[3,2-d]pyrimidin-4-yloxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 138038342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).