3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

C20H27N3O4S2 — CID 24980923

IUPAC3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C20H27N3O4S2/c1-16-4-6-17(7-5-16)29(25,26)22-9-8-20(24)21-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-7,14,18,22H,8-13,15H2,1H3,(H,21,24)
InChIKeyVGQDWQJLOICDIT-UHFFFAOYSA-N
MW437.59 g/mol
LogP1.91
Rot. Bonds9

About 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide

3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (PubChem CID 24980923) has the molecular formula C20H27N3O4S2 and a molecular weight of 437.59 g/mol. Its IUPAC name is 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
PubChem CID24980923
Molecular FormulaC20H27N3O4S2
Molecular Weight437.59 g/mol
Exact Mass437.14
IUPAC Name3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide
SMILESCc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C20H27N3O4S2/c1-16-4-6-17(7-5-16)29(25,26)22-9-8-20(24)21-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-7,14,18,22H,8-13,15H2,1H3,(H,21,24)
InChIKeyVGQDWQJLOICDIT-UHFFFAOYSA-N
XLogP1.91
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylsulfamoyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 24980274
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-ethyl-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]benzamide
CID 4845856
N~1~-benzyl-N~1~-methyl-N~2~-(thien-2-ylsulfonyl)valinamide
CID 6619218
(2S)-N-benzyl-4-(2-chloroacetyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423194
(2R)-N-benzyl-4-(2-chloroacetyl)-1-thiophen-3-ylsulfonylpiperazine-2-carboxamide
CID 169423207
4-morpholin-4-ylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 2525856
N-methyl-3-(4-morpholin-4-ylsulfonylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 2561079
Ethyl ({[2-(2-thienylsulfonyl)-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl}amino)acetate
CID 2937314
N-(tert-Butylcarbamoyl-methyl)-N-thiophen-2-ylmethyl-2-(toluene-4-sulfonylamino)-acetamide
CID 3206927
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
N-[[3-(benzenesulfonyl)-1,3-oxazinan-2-yl]methyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 4250425
CID 6603385
CID 6603385

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The IUPAC name of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide (CID 24980923) is 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is Cc1ccc(S(=O)(=O)NCCC(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
The InChIKey is VGQDWQJLOICDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S2/c1-16-4-6-17(7-5-16)29(25,26)22-9-8-20(24)21-15-18(19-3-2-14-28-19)23-10-12-27-13-11-23/h2-7,14,18,22H,8-13,15H2,1H3,(H,21,24).
What are the key properties of 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide?
3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide has a molecular weight of 437.59 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)sulfonylamino]-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 24980923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).