N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

C22H21ClN2O4S2 — CID 31801318

IUPACN-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O4S2/c23-17-7-1-3-9-19(17)29-20-10-4-2-8-18(20)24-21(26)15-16-11-12-22(30-16)31(27,28)25-13-5-6-14-25/h1-4,7-12H,5-6,13-15H2,(H,24,26)
InChIKeyOGCANQYZECGJDV-UHFFFAOYSA-N
MW477.01 g/mol
LogP5.16
Rot. Bonds7

About N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (PubChem CID 31801318) has the molecular formula C22H21ClN2O4S2 and a molecular weight of 477.01 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
PubChem CID31801318
Molecular FormulaC22H21ClN2O4S2
Molecular Weight477.01 g/mol
Exact Mass476.06
IUPAC NameN-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide
SMILESO=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1Oc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O4S2/c23-17-7-1-3-9-19(17)29-20-10-4-2-8-18(20)24-21(26)15-16-11-12-22(30-16)31(27,28)25-13-5-6-14-25/h1-4,7-12H,5-6,13-15H2,(H,24,26)
InChIKeyOGCANQYZECGJDV-UHFFFAOYSA-N
XLogP5.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.01
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide (CID 31801318) is N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1ccccc1Oc1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
The InChIKey is OGCANQYZECGJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S2/c23-17-7-1-3-9-19(17)29-20-10-4-2-8-18(20)24-21(26)15-16-11-12-22(30-16)31(27,28)25-13-5-6-14-25/h1-4,7-12H,5-6,13-15H2,(H,24,26).
What are the key properties of N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide?
N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide has a molecular weight of 477.01 g/mol, XLogP of 5.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide is sourced from PubChem (CID 31801318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).