(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

C22H28FN3O5S — CID 55958606

IUPAC(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESCCC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C22H28FN3O5S/c1-5-18(16-10-6-8-12-19(16)31-14-21(27)26(3)4)24-22(28)15(2)25-32(29,30)20-13-9-7-11-17(20)23/h6-13,15,18,25H,5,14H2,1-4H3,(H,24,28)/t15-,18?/m0/s1
InChIKeyBTHKDDASRRBUMH-BUSXIPJBSA-N
MW465.55 g/mol
LogP2.23
Rot. Bonds10

About (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide

(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (PubChem CID 55958606) has the molecular formula C22H28FN3O5S and a molecular weight of 465.55 g/mol. Its IUPAC name is (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound Name(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
PubChem CID55958606
Molecular FormulaC22H28FN3O5S
Molecular Weight465.55 g/mol
Exact Mass465.17
IUPAC Name(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
SMILESCCC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccccc1OCC(=O)N(C)C
InChIInChI=1S/C22H28FN3O5S/c1-5-18(16-10-6-8-12-19(16)31-14-21(27)26(3)4)24-22(28)15(2)25-32(29,30)20-13-9-7-11-17(20)23/h6-13,15,18,25H,5,14H2,1-4H3,(H,24,28)/t15-,18?/m0/s1
InChIKeyBTHKDDASRRBUMH-BUSXIPJBSA-N
XLogP2.23
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(4-methoxyphenoxy)propanamide
CID 55902579
2-chloro-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55902702
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 33239791
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3-ethoxy-4-methoxybenzamide
CID 55901936
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(2-nitrophenyl)acetamide
CID 60534764
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849451
(2S)-2-[(2-fluorophenyl)sulfonylamino]-N-(1-phenylethyl)propanamide
CID 24539850
2-[2-[(2-fluorophenyl)sulfonylamino]propanoylamino]acetic acid
CID 119350026
6-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propylcarbamoyl]pyridine-2-carboxylic acid
CID 119180806
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849505
N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55902697
2-[(2-fluorophenyl)sulfonylamino]-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 42941103

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide (CID 55958606) is (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is CCC(NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccccc1OCC(=O)N(C)C.
What is the InChIKey of (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is BTHKDDASRRBUMH-BUSXIPJBSA-N. The full InChI is InChI=1S/C22H28FN3O5S/c1-5-18(16-10-6-8-12-19(16)31-14-21(27)26(3)4)24-22(28)15(2)25-32(29,30)20-13-9-7-11-17(20)23/h6-13,15,18,25H,5,14H2,1-4H3,(H,24,28)/t15-,18?/m0/s1.
What are the key properties of (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide?
(2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 465.55 g/mol, XLogP of 2.23, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 55958606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).