N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide

C18H22N2O3S — CID 33338052

IUPACN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-7-10-17(11-8-15)24(22,23)20-14-13-19-18(21)12-9-16-5-3-2-4-6-16/h2-8,10-11,20H,9,12-14H2,1H3,(H,19,21)
InChIKeyZWHMABOTLUTOSX-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.02
Rot. Bonds8

About N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide (PubChem CID 33338052) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
PubChem CID33338052
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC NameN-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-15-7-10-17(11-8-15)24(22,23)20-14-13-19-18(21)12-9-16-5-3-2-4-6-16/h2-8,10-11,20H,9,12-14H2,1H3,(H,19,21)
InChIKeyZWHMABOTLUTOSX-UHFFFAOYSA-N
XLogP2.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 33426038
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
N-(2,2-dimethylpropyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 100796411
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100790408
7-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]heptanamide
CID 119704157
3-(4-ethoxy-3-methoxyphenyl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]propanamide
CID 108574295
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 24660004
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
2-[4-[benzenesulfonyl(methyl)amino]phenyl]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100787346
4-(1H-indol-3-yl)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 33338058

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide (CID 33338052) is N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide is Cc1ccc(S(=O)(=O)NCCNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide?
The InChIKey is ZWHMABOTLUTOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-7-10-17(11-8-15)24(22,23)20-14-13-19-18(21)12-9-16-5-3-2-4-6-16/h2-8,10-11,20H,9,12-14H2,1H3,(H,19,21).
What are the key properties of N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide?
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide has a molecular weight of 346.45 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 33338052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).