3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide

C19H23ClN2O4S — CID 108574321

IUPAC3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-17-8-10-18(11-9-17)27(24,25)22-14-13-21-19(23)12-5-15-3-6-16(20)7-4-15/h3-4,6-11,22H,2,5,12-14H2,1H3,(H,21,23)
InChIKeyAPRWGPJGGBMJQQ-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.77
Rot. Bonds10

About 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide

3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide (PubChem CID 108574321) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
PubChem CID108574321
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
SMILESCCOc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-2-26-17-8-10-18(11-9-17)27(24,25)22-14-13-21-19(23)12-5-15-3-6-16(20)7-4-15/h3-4,6-11,22H,2,5,12-14H2,1H3,(H,21,23)
InChIKeyAPRWGPJGGBMJQQ-UHFFFAOYSA-N
XLogP2.77
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.77
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

4-chloro-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzamide
CID 31829485
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573109
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
N-(3-aminopropyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 119408093
N-[2-[(4-acetamidophenyl)sulfonylamino]ethyl]-2-(4-ethoxyphenyl)acetamide
CID 108573113
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenyl)acetamide
CID 166208857
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide (CID 108574321) is 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide is CCOc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide?
The InChIKey is APRWGPJGGBMJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-2-26-17-8-10-18(11-9-17)27(24,25)22-14-13-21-19(23)12-5-15-3-6-16(20)7-4-15/h3-4,6-11,22H,2,5,12-14H2,1H3,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide?
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide has a molecular weight of 410.92 g/mol, XLogP of 2.77, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide is sourced from PubChem (CID 108574321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).