4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

C25H29N3O4S2 — CID 4192820

IUPAC4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-4-20-7-5-6-14-28(20)34(30,31)21-11-8-18(9-12-21)24(29)27-25-26-22(16-33-25)19-10-13-23(32-3)17(2)15-19/h8-13,15-16,20H,4-7,14H2,1-3H3,(H,26,27,29)
InChIKeyXHCHRFPZZLGPHF-UHFFFAOYSA-N
MW499.66 g/mol
LogP5.33
Rot. Bonds7

About 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide

4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 4192820) has the molecular formula C25H29N3O4S2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID4192820
Molecular FormulaC25H29N3O4S2
Molecular Weight499.66 g/mol
Exact Mass499.16
IUPAC Name4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1
InChIInChI=1S/C25H29N3O4S2/c1-4-20-7-5-6-14-28(20)34(30,31)21-11-8-18(9-12-21)24(29)27-25-26-22(16-33-25)19-10-13-23(32-3)17(2)15-19/h8-13,15-16,20H,4-7,14H2,1-3H3,(H,26,27,29)
InChIKeyXHCHRFPZZLGPHF-UHFFFAOYSA-N
XLogP5.33
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.66
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2S)-2-ethylpiperidin-1-yl]sulfonyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 92693382
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4180781
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 4080052
4-(2-ethylpiperidin-1-yl)sulfonyl-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)benzamide
CID 4616708
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 41038226
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4186489
4-(azepan-1-ylsulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1191189
N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 16823108
N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-(2-ethylpiperidin-1-yl)sulfonylbenzamide
CID 4616707
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121045194
N'-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-[(2R)-2-ethylpiperidin-1-yl]sulfonylbenzohydrazide
CID 41043781
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 3590296

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 4192820) is 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(OC)c(C)c3)cs2)cc1.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is XHCHRFPZZLGPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S2/c1-4-20-7-5-6-14-28(20)34(30,31)21-11-8-18(9-12-21)24(29)27-25-26-22(16-33-25)19-10-13-23(32-3)17(2)15-19/h8-13,15-16,20H,4-7,14H2,1-3H3,(H,26,27,29).
What are the key properties of 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide?
4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 499.66 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)sulfonyl-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 4192820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).