2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole

C28H40N6O5S2 — CID 158163290

IUPAC2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole
SMILESCC(C)C(=O)c1ccco1.CC(C)NS(=O)(=O)N(C)C.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C8H10O2.C5H14N2O2S/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-6(2)8(9)7-4-3-5-10-7;1-5(2)6-10(8,9)7(3)4/h4-10H,1-3H3;3-6H,1-2H3;5-6H,1-4H3
InChIKeyFWNPRJYBRAGLJD-UHFFFAOYSA-N
MW604.80 g/mol
LogP5.57
Rot. Bonds9

About 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole

2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole (PubChem CID 158163290) has the molecular formula C28H40N6O5S2 and a molecular weight of 604.80 g/mol. Its IUPAC name is 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole
PubChem CID158163290
Molecular FormulaC28H40N6O5S2
Molecular Weight604.80 g/mol
Exact Mass604.25
IUPAC Name2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole
SMILESCC(C)C(=O)c1ccco1.CC(C)NS(=O)(=O)N(C)C.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1
InChIInChI=1S/C15H16N4OS.C8H10O2.C5H14N2O2S/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-6(2)8(9)7-4-3-5-10-7;1-5(2)6-10(8,9)7(3)4/h4-10H,1-3H3;3-6H,1-2H3;5-6H,1-4H3
InChIKeyFWNPRJYBRAGLJD-UHFFFAOYSA-N
XLogP5.57
TPSA132.45 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.80
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole with MolForge

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Related Compounds

methane;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
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ethene;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole;N-propan-2-ylcyclopropanesulfonamide
CID 159401944
furan-2-yl-[2-(4-methoxyphenyl)-4-thiophen-2-yl-1,3-thiazol-5-yl]methanone
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2-(4-methoxyphenyl)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 8795536
furan-2-yl-[3-(4-methoxyphenyl)-5-(thiophen-2-ylmethylamino)-1,2,4-triazol-1-yl]methanone
CID 5138150
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 87035840
N-[2-(furan-2-carbonylamino)ethyl]-2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 24660945
[3-ethoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(furan-2-yl)methanone
CID 42726666
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
1-(4-methoxyphenyl)-3-[[4-(1,3-thiazol-2-yl)phenyl]methyl]urea
CID 54773947
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
The IUPAC name of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole (CID 158163290) is 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole is CC(C)C(=O)c1ccco1.CC(C)NS(=O)(=O)N(C)C.COc1ccc(-c2nn(C(C)C)nc2-c2nccs2)cc1.
What is the InChIKey of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
The InChIKey is FWNPRJYBRAGLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS.C8H10O2.C5H14N2O2S/c1-10(2)19-17-13(11-4-6-12(20-3)7-5-11)14(18-19)15-16-8-9-21-15;1-6(2)8(9)7-4-3-5-10-7;1-5(2)6-10(8,9)7(3)4/h4-10H,1-3H3;3-6H,1-2H3;5-6H,1-4H3.
What are the key properties of 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole?
2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole has a molecular weight of 604.80 g/mol, XLogP of 5.57, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylsulfamoylamino)propane;1-(furan-2-yl)-2-methylpropan-1-one;2-[5-(4-methoxyphenyl)-2-propan-2-yltriazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 158163290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).