N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide

C23H29FN4O5S — CID 29327873

IUPACN-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1F
InChIInChI=1S/C23H29FN4O5S/c1-17-2-3-18(14-20(17)24)26-23(29)16-25-21-15-19(34(30,31)28-8-12-33-13-9-28)4-5-22(21)27-6-10-32-11-7-27/h2-5,14-15,25H,6-13,16H2,1H3,(H,26,29)
InChIKeyXNYALQUTTJZPKG-UHFFFAOYSA-N
MW492.57 g/mol
LogP2.04
Rot. Bonds7

About N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide

N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide (PubChem CID 29327873) has the molecular formula C23H29FN4O5S and a molecular weight of 492.57 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide
PubChem CID29327873
Molecular FormulaC23H29FN4O5S
Molecular Weight492.57 g/mol
Exact Mass492.18
IUPAC NameN-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide
SMILESCc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1F
InChIInChI=1S/C23H29FN4O5S/c1-17-2-3-18(14-20(17)24)26-23(29)16-25-21-15-19(34(30,31)28-8-12-33-13-9-28)4-5-22(21)27-6-10-32-11-7-27/h2-5,14-15,25H,6-13,16H2,1H3,(H,26,29)
InChIKeyXNYALQUTTJZPKG-UHFFFAOYSA-N
XLogP2.04
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
1-(3-fluoro-4-methylphenyl)-3-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)thiourea
CID 24501806
N-(3-fluoro-4-methylphenyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 24817896
N-(2,5-difluorophenyl)-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)acetamide
CID 55346752
2-(5-chloro-2-morpholin-4-ylanilino)-N-(3,4-difluorophenyl)acetamide
CID 7922878
N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
methyl 2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetate
CID 55463879
1-(3-fluoro-4-methylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)ethanone
CID 110830447
1-morpholin-4-yl-2-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylanilino)ethanone
CID 55346848
N-[(4-chlorophenyl)methyl]-2-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylanilino)acetamide
CID 55345467
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide (CID 29327873) is N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide is Cc1ccc(NC(=O)CNc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide?
The InChIKey is XNYALQUTTJZPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O5S/c1-17-2-3-18(14-20(17)24)26-23(29)16-25-21-15-19(34(30,31)28-8-12-33-13-9-28)4-5-22(21)27-6-10-32-11-7-27/h2-5,14-15,25H,6-13,16H2,1H3,(H,26,29).
What are the key properties of N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide?
N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide has a molecular weight of 492.57 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylanilino)acetamide is sourced from PubChem (CID 29327873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).