2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide

C19H23ClN2O4S — CID 108572703

IUPAC2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C(C)Oc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H23ClN2O4S/c1-13-4-9-18(12-14(13)2)27(24,25)22-11-10-21-19(23)15(3)26-17-7-5-16(20)6-8-17/h4-9,12,15,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyLDQFWBWHMDIMOA-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.82
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide

2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 108572703) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
PubChem CID108572703
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)C(C)Oc2ccc(Cl)cc2)cc1C
InChIInChI=1S/C19H23ClN2O4S/c1-13-4-9-18(12-14(13)2)27(24,25)22-11-10-21-19(23)15(3)26-17-7-5-16(20)6-8-17/h4-9,12,15,22H,10-11H2,1-3H3,(H,21,23)
InChIKeyLDQFWBWHMDIMOA-UHFFFAOYSA-N
XLogP2.82
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxyphenoxy)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108571600
2-(4-chlorophenoxy)-N-[2-(dimethylsulfamoylamino)ethyl]propanamide
CID 108572712
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
N-[2-(benzenesulfonamido)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108572799
2-(4-chlorophenoxy)-N-[2-(propanoylamino)ethyl]propanamide
CID 108541480
2-(4-chlorophenoxy)-N-[3-[2-(4-chlorophenoxy)propanoylamino]propyl]propanamide
CID 4944309
5-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-2-methoxybenzamide
CID 108572214
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572497
2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
4-chloro-N-[2-[2-(4-methylphenoxy)propanoylamino]ethyl]benzamide
CID 134039933

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide (CID 108572703) is 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)C(C)Oc2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is LDQFWBWHMDIMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-13-4-9-18(12-14(13)2)27(24,25)22-11-10-21-19(23)15(3)26-17-7-5-16(20)6-8-17/h4-9,12,15,22H,10-11H2,1-3H3,(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide?
2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 410.92 g/mol, XLogP of 2.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108572703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).