N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide

C19H23ClN2O4S — CID 108572895

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-15-4-8-17(9-5-15)26-14-2-3-19(23)21-12-13-22-27(24,25)18-10-6-16(20)7-11-18/h4-11,22H,2-3,12-14H2,1H3,(H,21,23)
InChIKeyDHMJNZKGULLAPH-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.90
Rot. Bonds10

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide (PubChem CID 108572895) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
PubChem CID108572895
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
SMILESCc1ccc(OCCCC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-15-4-8-17(9-5-15)26-14-2-3-19(23)21-12-13-22-27(24,25)18-10-6-16(20)7-11-18/h4-11,22H,2-3,12-14H2,1H3,(H,21,23)
InChIKeyDHMJNZKGULLAPH-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
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

1-[2-(4-chlorophenoxy)ethyl]-3-[2-[(4-methylphenyl)sulfonylamino]ethyl]urea
CID 36506005
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(4-methylphenoxy)butanamide
CID 108759077
N-[2-(4-chlorophenoxy)ethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 9171522
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31336412
3-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 24660216
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 108572656
4-(2,6-dimethylphenoxy)-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]butanamide
CID 108572911

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide (CID 108572895) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide is Cc1ccc(OCCCC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide?
The InChIKey is DHMJNZKGULLAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-15-4-8-17(9-5-15)26-14-2-3-19(23)21-12-13-22-27(24,25)18-10-6-16(20)7-11-18/h4-11,22H,2-3,12-14H2,1H3,(H,21,23).
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide has a molecular weight of 410.92 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide is sourced from PubChem (CID 108572895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).