3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide

C20H23ClN2O4S — CID 55797955

IUPAC3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c21-17-4-3-5-18(14-17)27-13-10-20(24)22-15-16-6-8-19(9-7-16)28(25,26)23-11-1-2-12-23/h3-9,14H,1-2,10-13,15H2,(H,22,24)
InChIKeyNXAICVMDGAGWIU-UHFFFAOYSA-N
MW422.93 g/mol
LogP3.21
Rot. Bonds8

About 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide

3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide (PubChem CID 55797955) has the molecular formula C20H23ClN2O4S and a molecular weight of 422.93 g/mol. Its IUPAC name is 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
PubChem CID55797955
Molecular FormulaC20H23ClN2O4S
Molecular Weight422.93 g/mol
Exact Mass422.11
IUPAC Name3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O4S/c21-17-4-3-5-18(14-17)27-13-10-20(24)22-15-16-6-8-19(9-7-16)28(25,26)23-11-1-2-12-23/h3-9,14H,1-2,10-13,15H2,(H,22,24)
InChIKeyNXAICVMDGAGWIU-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.93
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide
CID 108736229
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9246729
2-(3-methylphenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 108736263
4-(3-bromophenoxy)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
CID 17474569
N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55716591
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
4-(3-bromophenoxy)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]butanamide
CID 51132965
3-(4-ethylphenoxy)-N-[[4-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]propanamide
CID 108736110
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
3-(3-chlorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385880
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43874576
N-(3-chlorophenyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 7900052

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The IUPAC name of 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide (CID 55797955) is 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide is O=C(CCOc1cccc(Cl)c1)NCc1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
The InChIKey is NXAICVMDGAGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4S/c21-17-4-3-5-18(14-17)27-13-10-20(24)22-15-16-6-8-19(9-7-16)28(25,26)23-11-1-2-12-23/h3-9,14H,1-2,10-13,15H2,(H,22,24).
What are the key properties of 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide?
3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide has a molecular weight of 422.93 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide is sourced from PubChem (CID 55797955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).