N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

C20H24N4O4S3 — CID 2144620

IUPACN-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[nH]c(=O)c2c1C
InChIInChI=1S/C20H24N4O4S3/c1-11-12(2)30-18-16(11)17(26)22-19(23-18)29-10-15(25)21-13-6-8-14(9-7-13)31(27,28)24-20(3,4)5/h6-9,24H,10H2,1-5H3,(H,21,25)(H,22,23,26)
InChIKeyGHKYUSPUPWWSPK-UHFFFAOYSA-N
MW480.64 g/mol
LogP3.41
Rot. Bonds6

About N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2144620) has the molecular formula C20H24N4O4S3 and a molecular weight of 480.64 g/mol. Its IUPAC name is N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2144620
Molecular FormulaC20H24N4O4S3
Molecular Weight480.64 g/mol
Exact Mass480.10
IUPAC NameN-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[nH]c(=O)c2c1C
InChIInChI=1S/C20H24N4O4S3/c1-11-12(2)30-18-16(11)17(26)22-19(23-18)29-10-15(25)21-13-6-8-14(9-7-13)31(27,28)24-20(3,4)5/h6-9,24H,10H2,1-5H3,(H,21,25)(H,22,23,26)
InChIKeyGHKYUSPUPWWSPK-UHFFFAOYSA-N
XLogP3.41
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.64
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide (CID 2144620) is N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is Cc1sc2nc(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)[nH]c(=O)c2c1C.
What is the InChIKey of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is GHKYUSPUPWWSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4S3/c1-11-12(2)30-18-16(11)17(26)22-19(23-18)29-10-15(25)21-13-6-8-14(9-7-13)31(27,28)24-20(3,4)5/h6-9,24H,10H2,1-5H3,(H,21,25)(H,22,23,26).
What are the key properties of N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide?
N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 480.64 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(tert-butylsulfamoyl)phenyl]-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2144620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).