2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide

C18H21FN2O3S — CID 112994823

IUPAC2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-14-12-16(19)9-10-17(14)25(23,24)21-13-18(22)20-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,21H,5,8,11,13H2,1H3,(H,20,22)
InChIKeyXOAWDJINXBSPLF-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.16
Rot. Bonds8

About 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide

2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide (PubChem CID 112994823) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
PubChem CID112994823
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC(=O)NCCCc1ccccc1
InChIInChI=1S/C18H21FN2O3S/c1-14-12-16(19)9-10-17(14)25(23,24)21-13-18(22)20-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,21H,5,8,11,13H2,1H3,(H,20,22)
InChIKeyXOAWDJINXBSPLF-UHFFFAOYSA-N
XLogP2.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.16
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-[(2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide
CID 112994846
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 112992284
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)acetamide
CID 112993014
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
N-(2-ethoxyphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112998830
3-[(4-fluorophenyl)sulfonylamino]-N-(3-phenylpropyl)propanamide
CID 35806898
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
2-[(4-methoxy-2-methylphenyl)sulfonylamino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112993591
2-(butylsulfonylamino)-N-(3-phenylpropyl)acetamide
CID 112994808
2-[(2-bromophenyl)sulfonylamino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 9391761
4-fluoro-2-methyl-N-[3-(N-methylanilino)propyl]benzenesulfonamide
CID 46534961

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide (CID 112994823) is 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide is Cc1cc(F)ccc1S(=O)(=O)NCC(=O)NCCCc1ccccc1.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
The InChIKey is XOAWDJINXBSPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-14-12-16(19)9-10-17(14)25(23,24)21-13-18(22)20-11-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,21H,5,8,11,13H2,1H3,(H,20,22).
What are the key properties of 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide?
2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide has a molecular weight of 364.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)sulfonylamino]-N-(3-phenylpropyl)acetamide is sourced from PubChem (CID 112994823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).