2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide

C26H33N3O4S — CID 55693333

IUPAC2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H33N3O4S/c1-20-11-12-23(34(32,33)29-15-6-3-7-16-29)18-24(20)25(30)27-19-21-9-8-10-22(17-21)26(31)28-13-4-2-5-14-28/h8-12,17-18H,2-7,13-16,19H2,1H3,(H,27,30)
InChIKeyDQTQEMHOSVBSDA-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.73
Rot. Bonds6

About 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide

2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 55693333) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID55693333
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC Name2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1
InChIInChI=1S/C26H33N3O4S/c1-20-11-12-23(34(32,33)29-15-6-3-7-16-29)18-24(20)25(30)27-19-21-9-8-10-22(17-21)26(31)28-13-4-2-5-14-28/h8-12,17-18H,2-7,13-16,19H2,1H3,(H,27,30)
InChIKeyDQTQEMHOSVBSDA-UHFFFAOYSA-N
XLogP3.73
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281764
N-[(3-fluorophenyl)methyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281859
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]benzamide
CID 53282284
5-(azepan-1-ylsulfonyl)-2-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 28590332
azepan-1-yl-(2-methyl-5-piperidin-1-ylsulfonylphenyl)methanone
CID 2344798
5-(azepan-1-ylsulfonyl)-N-(furan-2-ylmethyl)-2-methylbenzamide
CID 53281766
2-methyl-5-piperidin-1-ylsulfonyl-N-prop-2-ynylbenzamide
CID 7997753
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
5-(azepan-1-ylsulfonyl)-N-butyl-2-methylbenzamide
CID 53281850
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
5-(ethylsulfamoyl)-2-methyl-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 43043536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide (CID 55693333) is 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCc1cccc(C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is DQTQEMHOSVBSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-20-11-12-23(34(32,33)29-15-6-3-7-16-29)18-24(20)25(30)27-19-21-9-8-10-22(17-21)26(31)28-13-4-2-5-14-28/h8-12,17-18H,2-7,13-16,19H2,1H3,(H,27,30).
What are the key properties of 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide?
2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 483.63 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55693333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).