2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

C20H17N5O3S3 — CID 4551050

IUPAC2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc2ccccc12
InChIInChI=1S/C20H17N5O3S3/c1-13-16-4-2-3-5-17(16)24-20(22-13)30-12-18(26)23-14-6-8-15(9-7-14)31(27,28)25-19-21-10-11-29-19/h2-11H,12H2,1H3,(H,21,25)(H,23,26)
InChIKeyFIDDVCPVLSKWPR-UHFFFAOYSA-N
MW471.59 g/mol
LogP3.93
Rot. Bonds7

About 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide

2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (PubChem CID 4551050) has the molecular formula C20H17N5O3S3 and a molecular weight of 471.59 g/mol. Its IUPAC name is 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
PubChem CID4551050
Molecular FormulaC20H17N5O3S3
Molecular Weight471.59 g/mol
Exact Mass471.05
IUPAC Name2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
SMILESCc1nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc2ccccc12
InChIInChI=1S/C20H17N5O3S3/c1-13-16-4-2-3-5-17(16)24-20(22-13)30-12-18(26)23-14-6-8-15(9-7-14)31(27,28)25-19-21-10-11-29-19/h2-11H,12H2,1H3,(H,21,25)(H,23,26)
InChIKeyFIDDVCPVLSKWPR-UHFFFAOYSA-N
XLogP3.93
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88543999
2-(1H-benzimidazol-2-ylamino)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 70677565
3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 25390413
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2295496
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 19631448
2-(4-phenylphenoxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 4511693
4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
3,3-dimethyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]butanamide
CID 17368902
ethyl 4-[[2-(4-methylquinazolin-2-yl)sulfanylacetyl]amino]benzoate
CID 3312624
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 84569514
2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 2218954
2-(1H-benzimidazol-2-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544255

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide (CID 4551050) is 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is Cc1nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
The InChIKey is FIDDVCPVLSKWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S3/c1-13-16-4-2-3-5-17(16)24-20(22-13)30-12-18(26)23-14-6-8-15(9-7-14)31(27,28)25-19-21-10-11-29-19/h2-11H,12H2,1H3,(H,21,25)(H,23,26).
What are the key properties of 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide?
2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide has a molecular weight of 471.59 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinazolin-2-yl)sulfanyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4551050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).