N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

C26H29N3O3S — CID 55983221

IUPACN-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C26H29N3O3S/c1-21-9-3-4-11-24(21)20-28(19-22-10-8-14-27-18-22)26(30)23-12-7-13-25(17-23)33(31,32)29-15-5-2-6-16-29/h3-4,7-14,17-18H,2,5-6,15-16,19-20H2,1H3
InChIKeyBMBIIHHCYBLSMZ-UHFFFAOYSA-N
MW463.60 g/mol
LogP4.41
Rot. Bonds7

About N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide

N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55983221) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55983221
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
SMILESCc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C26H29N3O3S/c1-21-9-3-4-11-24(21)20-28(19-22-10-8-14-27-18-22)26(30)23-12-7-13-25(17-23)33(31,32)29-15-5-2-6-16-29/h3-4,7-14,17-18H,2,5-6,15-16,19-20H2,1H3
InChIKeyBMBIIHHCYBLSMZ-UHFFFAOYSA-N
XLogP4.41
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55981939
N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55982334
N-benzyl-N-(2-phenylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 24980279
3-(diethylsulfamoyl)-4-methyl-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983350
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55982328
3-(azepan-1-ylsulfonyl)-N-benzyl-N-(furan-2-ylmethyl)benzamide
CID 37429700
3-(azepan-1-ylsulfonyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 43028012
N-[(4-ethylphenyl)methyl]-3-methylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 39738224
3-(4-acetylpiperazin-1-yl)sulfonyl-N-benzyl-N-ethylbenzamide
CID 19257293
3-(diethylsulfamoyl)-4-methoxy-N-[(2-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 55983352
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-propylamino]acetic acid
CID 119205568
N-phenyl-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 55362996

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide (CID 55983221) is N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is BMBIIHHCYBLSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-21-9-3-4-11-24(21)20-28(19-22-10-8-14-27-18-22)26(30)23-12-7-13-25(17-23)33(31,32)29-15-5-2-6-16-29/h3-4,7-14,17-18H,2,5-6,15-16,19-20H2,1H3.
What are the key properties of N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide?
N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 463.60 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55983221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).