3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide

C21H26N2O5S — CID 30125401

IUPAC3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-18-13-17(14-19(15-18)28-2)21(24)22-10-9-16-5-7-20(8-6-16)29(25,26)23-11-3-4-12-23/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,22,24)
InChIKeyLURYXQOWYYQFBJ-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.46
Rot. Bonds8

About 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide

3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide (PubChem CID 30125401) has the molecular formula C21H26N2O5S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
PubChem CID30125401
Molecular FormulaC21H26N2O5S
Molecular Weight418.52 g/mol
Exact Mass418.16
IUPAC Name3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O5S/c1-27-18-13-17(14-19(15-18)28-2)21(24)22-10-9-16-5-7-20(8-6-16)29(25,26)23-11-3-4-12-23/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,22,24)
InChIKeyLURYXQOWYYQFBJ-UHFFFAOYSA-N
XLogP2.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-piperidin-1-ylsulfonyl-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 100795466
N-[3-[4-(azepan-1-ylsulfonyl)anilino]-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191781
3,5-dimethoxy-N-[3-oxo-3-(4-piperidin-1-ylsulfonylanilino)propyl]benzamide
CID 17191768
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
3-methoxy-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108759230
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
3-fluoro-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125800
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-3-cyanobenzamide
CID 108736551
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
N'-(3-methoxyphenyl)-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]oxamide
CID 30127263

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide (CID 30125401) is 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide is COc1cc(OC)cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
The InChIKey is LURYXQOWYYQFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5S/c1-27-18-13-17(14-19(15-18)28-2)21(24)22-10-9-16-5-7-20(8-6-16)29(25,26)23-11-3-4-12-23/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,22,24).
What are the key properties of 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide?
3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]benzamide is sourced from PubChem (CID 30125401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).