N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

C25H26N2O4S — CID 55675150

IUPACN-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H26N2O4S/c28-25(21-11-8-12-22(19-21)32(29,30)27-16-6-7-17-27)26-23-13-4-5-14-24(23)31-18-15-20-9-2-1-3-10-20/h1-5,8-14,19H,6-7,15-18H2,(H,26,28)
InChIKeyDSZTVCFAAKPBLE-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.34
Rot. Bonds8

About N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55675150) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55675150
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1OCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C25H26N2O4S/c28-25(21-11-8-12-22(19-21)32(29,30)27-16-6-7-17-27)26-23-13-4-5-14-24(23)31-18-15-20-9-2-1-3-10-20/h1-5,8-14,19H,6-7,15-18H2,(H,26,28)
InChIKeyDSZTVCFAAKPBLE-UHFFFAOYSA-N
XLogP4.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
N-(2-aminophenyl)-3-(azepan-1-ylsulfonyl)benzamide;hydrochloride
CID 119422102
3-(azepan-1-ylsulfonyl)-N-[2-(difluoromethoxy)phenyl]benzamide
CID 7043681
N-(5-chloro-2-propoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55895644
2-phenylethyl 3-piperidin-1-ylsulfonylbenzoate
CID 55334950
3-(azepan-1-ylsulfonyl)-N-(2-phenylphenyl)benzamide
CID 26727547
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937
N-ethyl-2-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzamide
CID 3266532
2-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 4094310
N-(2-methylsulfanylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688908
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
2-chloro-N-(2-propoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26897896

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide (CID 55675150) is N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1OCCc1ccccc1)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is DSZTVCFAAKPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c28-25(21-11-8-12-22(19-21)32(29,30)27-16-6-7-17-27)26-23-13-4-5-14-24(23)31-18-15-20-9-2-1-3-10-20/h1-5,8-14,19H,6-7,15-18H2,(H,26,28).
What are the key properties of N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 450.56 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-phenylethoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55675150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).