1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

C23H29N3O6S — CID 126014237

IUPAC1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1OC
InChIInChI=1S/C23H29N3O6S/c1-31-20-9-8-19(14-21(20)32-2)33(29,30)26(15-17-6-4-3-5-7-17)16-22(27)25-12-10-18(11-13-25)23(24)28/h3-9,14,18H,10-13,15-16H2,1-2H3,(H2,24,28)
InChIKeyYOFDNYNGXAWRLL-UHFFFAOYSA-N
MW475.57 g/mol
LogP1.62
Rot. Bonds9

About 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide

1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (PubChem CID 126014237) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
PubChem CID126014237
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1OC
InChIInChI=1S/C23H29N3O6S/c1-31-20-9-8-19(14-21(20)32-2)33(29,30)26(15-17-6-4-3-5-7-17)16-22(27)25-12-10-18(11-13-25)23(24)28/h3-9,14,18H,10-13,15-16H2,1-2H3,(H2,24,28)
InChIKeyYOFDNYNGXAWRLL-UHFFFAOYSA-N
XLogP1.62
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide
CID 126014254
N-benzyl-4-methoxy-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2224050
1-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-2-fluoroanilino)acetyl]piperidine-4-carboxamide
CID 30267622
ethyl 1-[2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxylate
CID 3638449
1-[2-[benzenesulfonyl(2-phenylethyl)amino]acetyl]piperidine-4-carboxamide
CID 45374478
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-methyl-N-phenylacetamide
CID 100791349
N-benzyl-4-fluoro-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 2925414
N-[2-(azepan-1-yl)-2-oxoethyl]-N-benzylbenzenesulfonamide
CID 3381789
N-benzyl-3,4-dimethyl-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 20934314
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-phenylethyl)acetamide
CID 3117777
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxy-N-(2-phenylethyl)benzenesulfonamide
CID 124537996
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-chloro-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 126394267

Frequently Asked Questions

What is the IUPAC name of 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide (CID 126014237) is 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccccc2)cc1OC.
What is the InChIKey of 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
The InChIKey is YOFDNYNGXAWRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-31-20-9-8-19(14-21(20)32-2)33(29,30)26(15-17-6-4-3-5-7-17)16-22(27)25-12-10-18(11-13-25)23(24)28/h3-9,14,18H,10-13,15-16H2,1-2H3,(H2,24,28).
What are the key properties of 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide?
1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 1.62, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 126014237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).