2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide

C23H23ClN2O4S — CID 2095155

IUPAC2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H23ClN2O4S/c1-2-15-26(31(28,29)20-12-8-9-18(24)16-20)17-23(27)25-21-13-6-7-14-22(21)30-19-10-4-3-5-11-19/h3-14,16H,2,15,17H2,1H3,(H,25,27)
InChIKeyHUHDQFIOMFYERU-UHFFFAOYSA-N
MW458.97 g/mol
LogP5.17
Rot. Bonds9

About 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide

2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide (PubChem CID 2095155) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
PubChem CID2095155
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H23ClN2O4S/c1-2-15-26(31(28,29)20-12-8-9-18(24)16-20)17-23(27)25-21-13-6-7-14-22(21)30-19-10-4-3-5-11-19/h3-14,16H,2,15,17H2,1H3,(H,25,27)
InChIKeyHUHDQFIOMFYERU-UHFFFAOYSA-N
XLogP5.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.97
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(3-chlorophenyl)sulfonyl-propylamino]acetamide
CID 42972348
2-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 113148410
2-[(3,4-dimethoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 40682573
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-phenoxyphenyl)acetamide
CID 24583785
2-[(4-ethoxyphenyl)sulfonyl-ethylamino]-N-(2-phenoxyphenyl)acetamide
CID 19798493
2-(N-acetyl-3-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 113171452
2-[(3-bromo-4-methoxyphenyl)sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 30329804
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126390068
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfonyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 52746584
3-[butyl(methylsulfonyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 113136792
3-(dipropylsulfamoyl)-N-(2-ethoxyphenyl)benzamide
CID 2591009
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126415335

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide (CID 2095155) is 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide is CCCN(CC(=O)Nc1ccccc1Oc1ccccc1)S(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide?
The InChIKey is HUHDQFIOMFYERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-2-15-26(31(28,29)20-12-8-9-18(24)16-20)17-23(27)25-21-13-6-7-14-22(21)30-19-10-4-3-5-11-19/h3-14,16H,2,15,17H2,1H3,(H,25,27).
What are the key properties of 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide?
2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide has a molecular weight of 458.97 g/mol, XLogP of 5.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)sulfonyl-propylamino]-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 2095155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).