4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide

C27H37N3O3S — CID 46349317

IUPAC4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)NC(C)c3ccccc3)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C27H37N3O3S/c1-20-11-15-29(16-12-20)25-10-9-24(27(31)28-22(3)23-7-5-4-6-8-23)19-26(25)34(32,33)30-17-13-21(2)14-18-30/h4-10,19-22H,11-18H2,1-3H3,(H,28,31)
InChIKeyPEPFDOAPFNBBPR-UHFFFAOYSA-N
MW483.68 g/mol
LogP4.83
Rot. Bonds6

About 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide

4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide (PubChem CID 46349317) has the molecular formula C27H37N3O3S and a molecular weight of 483.68 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
PubChem CID46349317
Molecular FormulaC27H37N3O3S
Molecular Weight483.68 g/mol
Exact Mass483.26
IUPAC Name4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
SMILESCC1CCN(c2ccc(C(=O)NC(C)c3ccccc3)cc2S(=O)(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C27H37N3O3S/c1-20-11-15-29(16-12-20)25-10-9-24(27(31)28-22(3)23-7-5-4-6-8-23)19-26(25)34(32,33)30-17-13-21(2)14-18-30/h4-10,19-22H,11-18H2,1-3H3,(H,28,31)
InChIKeyPEPFDOAPFNBBPR-UHFFFAOYSA-N
XLogP4.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.68
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 92874906
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 7536036
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
N-(2-chlorophenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349295
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132666739
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
N-(2,5-dimethylphenyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349313
N-(3-methoxypropyl)-4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46349335
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 46349331
N-[1-(3-acetamidophenyl)ethyl]-3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 46598587
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
4-[3-(4-methylpiperidin-1-yl)-2,5-dioxopyrrol-1-yl]-N-(1-phenylethyl)benzamide
CID 50845883

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide (CID 46349317) is 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide is CC1CCN(c2ccc(C(=O)NC(C)c3ccccc3)cc2S(=O)(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The InChIKey is PEPFDOAPFNBBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O3S/c1-20-11-15-29(16-12-20)25-10-9-24(27(31)28-22(3)23-7-5-4-6-8-23)19-26(25)34(32,33)30-17-13-21(2)14-18-30/h4-10,19-22H,11-18H2,1-3H3,(H,28,31).
What are the key properties of 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide has a molecular weight of 483.68 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 46349317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).