2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C28H33N3O5S — CID 46038691

IUPAC2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C28H33N3O5S/c1-35-26-13-12-21(20-27(26)36-2)14-17-29-28(32)24-10-6-7-11-25(24)31-18-15-22(16-19-31)30-37(33,34)23-8-4-3-5-9-23/h3-13,20,22,30H,14-19H2,1-2H3,(H,29,32)
InChIKeyUKDKEZKTTQHKAK-UHFFFAOYSA-N
MW523.66 g/mol
LogP3.62
Rot. Bonds10

About 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 46038691) has the molecular formula C28H33N3O5S and a molecular weight of 523.66 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID46038691
Molecular FormulaC28H33N3O5S
Molecular Weight523.66 g/mol
Exact Mass523.21
IUPAC Name2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C28H33N3O5S/c1-35-26-13-12-21(20-27(26)36-2)14-17-29-28(32)24-10-6-7-11-25(24)31-18-15-22(16-19-31)30-37(33,34)23-8-4-3-5-9-23/h3-13,20,22,30H,14-19H2,1-2H3,(H,29,32)
InChIKeyUKDKEZKTTQHKAK-UHFFFAOYSA-N
XLogP3.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.66
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-butan-2-ylbenzamide
CID 42848513
1-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]azetidine-2-carboxamide
CID 86776230
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 45374682
N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylpropanoylamino)piperidin-1-yl]benzamide
CID 46037893
2-(4-benzamidopiperidin-1-yl)-N-(2-phenylethyl)benzamide
CID 46037520
2-[1-(benzenesulfonyl)piperidin-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 46294811
N-(3-methylbutyl)-2-[4-(propan-2-ylsulfonylamino)piperidin-1-yl]benzamide
CID 46038716
2-[4-[(2-chlorobenzoyl)amino]piperidin-1-yl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 46037896
N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]-2-methylbenzamide
CID 46037909
3,5-difluoro-N-[1-[2-[2-(2-methoxyphenyl)ethylcarbamoyl]phenyl]piperidin-4-yl]benzamide
CID 46037917
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 46038691) is 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccccc2N2CCC(NS(=O)(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is UKDKEZKTTQHKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O5S/c1-35-26-13-12-21(20-27(26)36-2)14-17-29-28(32)24-10-6-7-11-25(24)31-18-15-22(16-19-31)30-37(33,34)23-8-4-3-5-9-23/h3-13,20,22,30H,14-19H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 523.66 g/mol, XLogP of 3.62, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)piperidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46038691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).