2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide

C22H25N5O4S2 — CID 24528473

IUPAC2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C22H25N5O4S2/c1-27(2)33(29,30)15-10-11-19(31-3)18(12-15)24-20(28)13-32-22-25-17-7-5-4-6-16(17)21(26-22)23-14-8-9-14/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyGEBMEGHXRZAIHW-UHFFFAOYSA-N
MW487.61 g/mol
LogP3.19
Rot. Bonds9

About 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide

2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide (PubChem CID 24528473) has the molecular formula C22H25N5O4S2 and a molecular weight of 487.61 g/mol. Its IUPAC name is 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
PubChem CID24528473
Molecular FormulaC22H25N5O4S2
Molecular Weight487.61 g/mol
Exact Mass487.13
IUPAC Name2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
SMILESCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(NC2CC2)c2ccccc2n1
InChIInChI=1S/C22H25N5O4S2/c1-27(2)33(29,30)15-10-11-19(31-3)18(12-15)24-20(28)13-32-22-25-17-7-5-4-6-16(17)21(26-22)23-14-8-9-14/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,28)(H,23,25,26)
InChIKeyGEBMEGHXRZAIHW-UHFFFAOYSA-N
XLogP3.19
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.61
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-quinolin-2-ylsulfanylacetamide
CID 17421537
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 24524493
N-(5-chloro-2-methoxyphenyl)-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide
CID 30970669
2-(2,6-dichlorophenyl)sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 18777757
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-3,3-diphenylpropanamide
CID 26205505
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 4841597
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-phenylsulfanylacetamide
CID 2914927
2-[4-(cyclohexylamino)quinazolin-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 3656022
N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanylacetamide
CID 4238077
2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 3978935
4-(1,3-benzothiazol-2-ylsulfanyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]butanamide
CID 16550836
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanylacetamide
CID 24528462

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide?
The IUPAC name of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide (CID 24528473) is 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide?
The canonical SMILES for 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide is COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CSc1nc(NC2CC2)c2ccccc2n1.
What is the InChIKey of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide?
The InChIKey is GEBMEGHXRZAIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4S2/c1-27(2)33(29,30)15-10-11-19(31-3)18(12-15)24-20(28)13-32-22-25-17-7-5-4-6-16(17)21(26-22)23-14-8-9-14/h4-7,10-12,14H,8-9,13H2,1-3H3,(H,24,28)(H,23,25,26).
What are the key properties of 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide?
2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide has a molecular weight of 487.61 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropylamino)quinazolin-2-yl]sulfanyl-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetamide is sourced from PubChem (CID 24528473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).