N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

C20H17N5O3S3 — CID 69208957

IUPACN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(N4C=Nc5occc5C4N)cc3)s2)cs1
InChIInChI=1S/C20H17N5O3S3/c1-12-23-16(10-29-12)17-6-7-18(30-17)31(26,27)24-13-2-4-14(5-3-13)25-11-22-20-15(19(25)21)8-9-28-20/h2-11,19,24H,21H2,1H3
InChIKeyOOBKJXGIILMERA-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.71
Rot. Bonds5

About N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide

N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (PubChem CID 69208957) has the molecular formula C20H17N5O3S3 and a molecular weight of 471.59 g/mol. Its IUPAC name is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
PubChem CID69208957
Molecular FormulaC20H17N5O3S3
Molecular Weight471.59 g/mol
Exact Mass471.05
IUPAC NameN-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(N4C=Nc5occc5C4N)cc3)s2)cs1
InChIInChI=1S/C20H17N5O3S3/c1-12-23-16(10-29-12)17-6-7-18(30-17)31(26,27)24-13-2-4-14(5-3-13)25-11-22-20-15(19(25)21)8-9-28-20/h2-11,19,24H,21H2,1H3
InChIKeyOOBKJXGIILMERA-UHFFFAOYSA-N
XLogP4.71
TPSA113.82 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide (CID 69208957) is N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(N4C=Nc5occc5C4N)cc3)s2)cs1.
What is the InChIKey of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
The InChIKey is OOBKJXGIILMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S3/c1-12-23-16(10-29-12)17-6-7-18(30-17)31(26,27)24-13-2-4-14(5-3-13)25-11-22-20-15(19(25)21)8-9-28-20/h2-11,19,24H,21H2,1H3.
What are the key properties of N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide?
N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide has a molecular weight of 471.59 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-4H-furo[2,3-d]pyrimidin-3-yl)phenyl]-5-(2-methyl-1,3-thiazol-4-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 69208957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).