N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide

C20H23ClN2O4S — CID 55453705

IUPACN-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-2-14-28(25,26)23-13-5-7-18(23)20(24)22-15-9-11-16(12-10-15)27-19-8-4-3-6-17(19)21/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3,(H,22,24)
InChIKeyIFTODARMHFKVMJ-UHFFFAOYSA-N
MW422.93 g/mol
LogP4.28
Rot. Bonds7

About N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide

N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide (PubChem CID 55453705) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
PubChem CID55453705
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC NameN-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1
InChIInChI=1S/C20H23ClN2O4S/c1-2-14-28(25,26)23-13-5-7-18(23)20(24)22-15-9-11-16(12-10-15)27-19-8-4-3-6-17(19)21/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3,(H,22,24)
InChIKeyIFTODARMHFKVMJ-UHFFFAOYSA-N
XLogP4.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-chlorophenoxy)phenyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529866
(2S)-N-(4-bromophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 51962204
N-(3-methoxyphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240451
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240584
N-[4-(4-benzylpiperazin-1-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 55429765
N-(3,4-dimethylphenyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51240454
1-methylsulfonyl-N-(4-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 17412915
(2S)-N-(4-chlorophenyl)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxamide
CID 110306006
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide
CID 51241414
N-(4-ethoxy-3-fluorophenyl)-1-propylsulfonylpiperidine-2-carboxamide
CID 55916654
methyl 2-[[2-[4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
CID 55880512
(2R)-N-(9-ethylcarbazol-3-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 35740935

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide (CID 55453705) is N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1ccc(Oc2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is IFTODARMHFKVMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c1-2-14-28(25,26)23-13-5-7-18(23)20(24)22-15-9-11-16(12-10-15)27-19-8-4-3-6-17(19)21/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3,(H,22,24).
What are the key properties of N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide?
N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 422.93 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)phenyl]-1-propylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55453705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).