N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

C23H22N4O4S2 — CID 43039485

IUPACN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1
InChIInChI=1S/C23H22N4O4S2/c1-26(15-17-5-3-2-4-6-17)33(30,31)19-9-7-18(8-10-19)25-21(28)11-13-27-16-24-22-20(23(27)29)12-14-32-22/h2-10,12,14,16H,11,13,15H2,1H3,(H,25,28)
InChIKeySROFRNBPWDUKFN-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.31
Rot. Bonds8

About N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide

N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (PubChem CID 43039485) has the molecular formula C23H22N4O4S2 and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
PubChem CID43039485
Molecular FormulaC23H22N4O4S2
Molecular Weight482.59 g/mol
Exact Mass482.11
IUPAC NameN-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1
InChIInChI=1S/C23H22N4O4S2/c1-26(15-17-5-3-2-4-6-17)33(30,31)19-9-7-18(8-10-19)25-21(28)11-13-27-16-24-22-20(23(27)29)12-14-32-22/h2-10,12,14,16H,11,13,15H2,1H3,(H,25,28)
InChIKeySROFRNBPWDUKFN-UHFFFAOYSA-N
XLogP3.31
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The IUPAC name of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide (CID 43039485) is N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide.
What is the SMILES notation for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The canonical SMILES for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)CCn2cnc3sccc3c2=O)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
The InChIKey is SROFRNBPWDUKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S2/c1-26(15-17-5-3-2-4-6-17)33(30,31)19-9-7-18(8-10-19)25-21(28)11-13-27-16-24-22-20(23(27)29)12-14-32-22/h2-10,12,14,16H,11,13,15H2,1H3,(H,25,28).
What are the key properties of N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide?
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide has a molecular weight of 482.59 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanamide is sourced from PubChem (CID 43039485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).