3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

C54H66N6O8S4 — CID 87632112

IUPAC3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCCCc1ccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.CCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1
InChIInChI=1S/2C27H33N3O4S2/c1-3-7-20-8-4-5-11-25(20)29-22-14-16-30(17-15-22)36(32,33)26-13-12-24(35-26)19-28-27(31)21-9-6-10-23(18-21)34-2;1-3-5-20-8-10-22(11-9-20)29-23-14-16-30(17-15-23)36(32,33)26-13-12-25(35-26)19-28-27(31)21-6-4-7-24(18-21)34-2/h4-6,8-13,18,22,29H,3,7,14-17,19H2,1-2H3,(H,28,31);4,6-13,18,23,29H,3,5,14-17,19H2,1-2H3,(H,28,31)
InChIKeyFGWAADUTYDTTFQ-UHFFFAOYSA-N
MW1055.42 g/mol
LogP9.81
Rot. Bonds20

About 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide

3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (PubChem CID 87632112) has the molecular formula C54H66N6O8S4 and a molecular weight of 1055.42 g/mol. Its IUPAC name is 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
PubChem CID87632112
Molecular FormulaC54H66N6O8S4
Molecular Weight1055.42 g/mol
Exact Mass1054.38
IUPAC Name3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
SMILESCCCc1ccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.CCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1
InChIInChI=1S/2C27H33N3O4S2/c1-3-7-20-8-4-5-11-25(20)29-22-14-16-30(17-15-22)36(32,33)26-13-12-24(35-26)19-28-27(31)21-9-6-10-23(18-21)34-2;1-3-5-20-8-10-22(11-9-20)29-23-14-16-30(17-15-23)36(32,33)26-13-12-25(35-26)19-28-27(31)21-6-4-7-24(18-21)34-2/h4-6,8-13,18,22,29H,3,7,14-17,19H2,1-2H3,(H,28,31);4,6-13,18,23,29H,3,5,14-17,19H2,1-2H3,(H,28,31)
InChIKeyFGWAADUTYDTTFQ-UHFFFAOYSA-N
XLogP9.81
TPSA175.48 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001055.42
LogP ≤ 59.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide with MolForge

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Related Compounds

N-[[5-(4-anilinopiperidin-1-yl)sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443892
3-methoxy-N-[2-[5-[4-[(4-propylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]ethyl]benzamide
CID 90967221
N-[[5-[4-[3-(dimethylamino)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 57443879
3-methoxy-N-[[5-[4-[(4-propoxyphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10166382
3-methoxy-N-[[5-[4-(3-nitroanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 57443884
N-[[5-[4-(cyclohexylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 142788761
3-methoxy-N-[[5-[4-[[2-(trifluoromethyl)phenyl]methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 68659062
N-[[5-[4-(heptylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide;3-methoxy-N-[[5-[4-(octylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 161356718
N-[[5-[4-[(4-ethylsulfanylphenyl)methylamino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]-3-methoxybenzamide
CID 68659155
3-methoxy-N-[[5-[4-(pentylamino)azepan-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10185063
3-methoxy-N-[[5-[4-[3-(1,3-oxazol-2-yl)anilino]piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 67401428
3-methoxy-N-[[5-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 10207219

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide (CID 87632112) is 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is CCCc1ccc(NC2CCN(S(=O)(=O)c3ccc(CNC(=O)c4cccc(OC)c4)s3)CC2)cc1.CCCc1ccccc1NC1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(OC)c3)s2)CC1.
What is the InChIKey of 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
The InChIKey is FGWAADUTYDTTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H33N3O4S2/c1-3-7-20-8-4-5-11-25(20)29-22-14-16-30(17-15-22)36(32,33)26-13-12-24(35-26)19-28-27(31)21-9-6-10-23(18-21)34-2;1-3-5-20-8-10-22(11-9-20)29-23-14-16-30(17-15-23)36(32,33)26-13-12-25(35-26)19-28-27(31)21-6-4-7-24(18-21)34-2/h4-6,8-13,18,22,29H,3,7,14-17,19H2,1-2H3,(H,28,31);4,6-13,18,23,29H,3,5,14-17,19H2,1-2H3,(H,28,31).
What are the key properties of 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide?
3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide has a molecular weight of 1055.42 g/mol, XLogP of 9.81, 20 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[5-[4-(2-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide;3-methoxy-N-[[5-[4-(4-propylanilino)piperidin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide is sourced from PubChem (CID 87632112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).