N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C22H25N3O4S2 — CID 52713593

IUPACN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)c(C)o1
InChIInChI=1S/C22H25N3O4S2/c1-14-8-10-25(11-9-14)31(27,28)18-6-4-17(5-7-18)21(26)24-22-23-20(13-30-22)19-12-15(2)29-16(19)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,26)
InChIKeyAUTTUFQEFGMYKB-UHFFFAOYSA-N
MW459.59 g/mol
LogP4.69
Rot. Bonds5

About N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 52713593) has the molecular formula C22H25N3O4S2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID52713593
Molecular FormulaC22H25N3O4S2
Molecular Weight459.59 g/mol
Exact Mass459.13
IUPAC NameN-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)c(C)o1
InChIInChI=1S/C22H25N3O4S2/c1-14-8-10-25(11-9-14)31(27,28)18-6-4-17(5-7-18)21(26)24-22-23-20(13-30-22)19-12-15(2)29-16(19)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,26)
InChIKeyAUTTUFQEFGMYKB-UHFFFAOYSA-N
XLogP4.69
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
CID 55922780
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 24610954
4-(azepan-1-ylsulfonyl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]benzamide
CID 3540717
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 55922002
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 40817062
4-(azepan-1-ylsulfonyl)-N-[4-[2-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 3536744
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 27736732
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073044
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 4188572
N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4854454
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 4118645

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 52713593) is N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1cc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is AUTTUFQEFGMYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S2/c1-14-8-10-25(11-9-14)31(27,28)18-6-4-17(5-7-18)21(26)24-22-23-20(13-30-22)19-12-15(2)29-16(19)3/h4-7,12-14H,8-11H2,1-3H3,(H,23,24,26).
What are the key properties of N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 459.59 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 52713593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).