3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide

C23H29N3O6S — CID 17191768

IUPAC3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O6S/c1-31-19-14-17(15-20(16-19)32-2)23(28)24-11-10-22(27)25-18-6-8-21(9-7-18)33(29,30)26-12-4-3-5-13-26/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRVDBYNKDXMHGFF-UHFFFAOYSA-N
MW475.57 g/mol
LogP2.64
Rot. Bonds9

About 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide

3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide (PubChem CID 17191768) has the molecular formula C23H29N3O6S and a molecular weight of 475.57 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
PubChem CID17191768
Molecular FormulaC23H29N3O6S
Molecular Weight475.57 g/mol
Exact Mass475.18
IUPAC Name3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
InChIInChI=1S/C23H29N3O6S/c1-31-19-14-17(15-20(16-19)32-2)23(28)24-11-10-22(27)25-18-6-8-21(9-7-18)33(29,30)26-12-4-3-5-13-26/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyRVDBYNKDXMHGFF-UHFFFAOYSA-N
XLogP2.64
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3-methoxybenzamide
CID 17226245
3-methoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17226232
4-methoxy-N-[4-oxo-4-(4-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 55624016
3,5-dimethoxy-N-[3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylanilino]-3-oxopropyl]benzamide
CID 17191829
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125401
4-(azepan-1-ylsulfonyl)-N-(3,5-dimethoxyphenyl)benzamide
CID 7772876
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
methyl 4-[4-(azepan-1-ylsulfonyl)anilino]-4-oxobutanoate
CID 650944
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55499906
N-(3-anilino-3-oxopropyl)-3,5-dimethoxybenzamide
CID 17191598

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide (CID 17191768) is 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide is COc1cc(OC)cc(C(=O)NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
The InChIKey is RVDBYNKDXMHGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S/c1-31-19-14-17(15-20(16-19)32-2)23(28)24-11-10-22(27)25-18-6-8-21(9-7-18)33(29,30)26-12-4-3-5-13-26/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide?
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide has a molecular weight of 475.57 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide is sourced from PubChem (CID 17191768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).