N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

C23H28N2O4S — CID 52765186

IUPACN-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(COCC2CC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28N2O4S/c26-23(24-21-8-4-6-19(14-21)17-29-16-18-10-11-18)20-7-5-9-22(15-20)30(27,28)25-12-2-1-3-13-25/h4-9,14-15,18H,1-3,10-13,16-17H2,(H,24,26)
InChIKeyGWLXKCJXWOZSAC-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.04
Rot. Bonds8

About N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide

N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 52765186) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
PubChem CID52765186
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC NameN-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(COCC2CC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28N2O4S/c26-23(24-21-8-4-6-19(14-21)17-29-16-18-10-11-18)20-7-5-9-22(15-20)30(27,28)25-12-2-1-3-13-25/h4-9,14-15,18H,1-3,10-13,16-17H2,(H,24,26)
InChIKeyGWLXKCJXWOZSAC-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide (CID 52765186) is N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(COCC2CC2)c1)c1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is GWLXKCJXWOZSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c26-23(24-21-8-4-6-19(14-21)17-29-16-18-10-11-18)20-7-5-9-22(15-20)30(27,28)25-12-2-1-3-13-25/h4-9,14-15,18H,1-3,10-13,16-17H2,(H,24,26).
What are the key properties of N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide?
N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 428.55 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxymethyl)phenyl]-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 52765186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).