N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide

C24H34N4O4S — CID 3946921

IUPACN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Nc2ccccc2N2CCOCC2)ccc1C
InChIInChI=1S/C24H34N4O4S/c1-5-28(6-2)33(30,31)23-17-20(12-11-18(23)3)26-24(29)19(4)25-21-9-7-8-10-22(21)27-13-15-32-16-14-27/h7-12,17,19,25H,5-6,13-16H2,1-4H3,(H,26,29)
InChIKeyPNOBVZDIJICTCA-UHFFFAOYSA-N
MW474.63 g/mol
LogP3.30
Rot. Bonds9

About N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide (PubChem CID 3946921) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide
PubChem CID3946921
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC NameN-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Nc2ccccc2N2CCOCC2)ccc1C
InChIInChI=1S/C24H34N4O4S/c1-5-28(6-2)33(30,31)23-17-20(12-11-18(23)3)26-24(29)19(4)25-21-9-7-8-10-22(21)27-13-15-32-16-14-27/h7-12,17,19,25H,5-6,13-16H2,1-4H3,(H,26,29)
InChIKeyPNOBVZDIJICTCA-UHFFFAOYSA-N
XLogP3.30
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-morpholinoethyl)-3-(3-(4-(trifluoromethyl)phenyl)ureido)benzenesulfonamide
CID 24894562
(2S)-2-(benzenesulfonamido)-3-methyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 2123914
2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 3898052
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylacetamide
CID 3959591
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-morpholin-4-ylacetamide
CID 4847616
N-[3-(diethylsulfamoyl)phenyl]-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 24979096
3-(benzylamino)-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145954929
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 2318822
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
2-(4-methyl-N-methylsulfonylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2968760
N~2~-(3,4-dimethylphenyl)-N~2~-(methylsulfonyl)-N~1~-[4-(4-morpholinylsulfonyl)phenyl]alaninamide
CID 2981897
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(4-benzylpiperazin-1-yl)acetamide
CID 3229480

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide?
The IUPAC name of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide (CID 3946921) is N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)Nc2ccccc2N2CCOCC2)ccc1C.
What is the InChIKey of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide?
The InChIKey is PNOBVZDIJICTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-5-28(6-2)33(30,31)23-17-20(12-11-18(23)3)26-24(29)19(4)25-21-9-7-8-10-22(21)27-13-15-32-16-14-27/h7-12,17,19,25H,5-6,13-16H2,1-4H3,(H,26,29).
What are the key properties of N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide?
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide has a molecular weight of 474.63 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-morpholin-4-ylanilino)propanamide is sourced from PubChem (CID 3946921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).