2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide

C18H22N2O3S — CID 112994846

IUPAC2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-15-8-5-6-12-17(15)24(22,23)20-14-18(21)19-13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,20H,7,11,13-14H2,1H3,(H,19,21)
InChIKeyHPPKKYCQNRRUFC-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.02
Rot. Bonds8

About 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide

2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 112994846) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
PubChem CID112994846
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCc1ccccc1S(=O)(=O)NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C18H22N2O3S/c1-15-8-5-6-12-17(15)24(22,23)20-14-18(21)19-13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,20H,7,11,13-14H2,1H3,(H,19,21)
InChIKeyHPPKKYCQNRRUFC-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

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994823
N-(3-methylbutyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112995226
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
N-(3-phenylpropyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78768135
3-(2,6-dimethylanilino)-N-(3-phenylpropyl)propanamide
CID 109030823
2-(2-hydroxyethylamino)-N-(3-phenylpropyl)acetamide
CID 163571162
2-[(2-methyl-1,3-benzothiazol-6-yl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 23603157
2,5-dimethyl-N-(3-phenylpropyl)benzenesulfonamide
CID 2439946
2-[(2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993044
N-[3-[4-(methanesulfonamido)phenyl]propyl]-2-methylbenzenesulfonamide
CID 110417713
N-(4-chlorophenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997960
3-[(4-tert-butylphenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806909

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide (CID 112994846) is 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide is Cc1ccccc1S(=O)(=O)NCC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is HPPKKYCQNRRUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-8-5-6-12-17(15)24(22,23)20-14-18(21)19-13-7-11-16-9-3-2-4-10-16/h2-6,8-10,12,20H,7,11,13-14H2,1H3,(H,19,21).
What are the key properties of 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide 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 2-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 112994846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).