N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide

C24H32N4O4S — CID 2361311

IUPACN-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-19-17-22(33(30,31)28-13-15-32-16-14-28)9-10-23(19)26-24(29)18-25-20-5-7-21(8-6-20)27-11-3-2-4-12-27/h5-10,17,25H,2-4,11-16,18H2,1H3,(H,26,29)
InChIKeyZTKFACLULPJVNY-UHFFFAOYSA-N
MW472.61 g/mol
LogP3.06
Rot. Bonds7

About N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide

N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide (PubChem CID 2361311) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide
PubChem CID2361311
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide
SMILESCc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-19-17-22(33(30,31)28-13-15-32-16-14-28)9-10-23(19)26-24(29)18-25-20-5-7-21(8-6-20)27-11-3-2-4-12-27/h5-10,17,25H,2-4,11-16,18H2,1H3,(H,26,29)
InChIKeyZTKFACLULPJVNY-UHFFFAOYSA-N
XLogP3.06
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-morpholin-4-ylsulfonylanilino)acetamide
CID 9083306
2-(3-fluoro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100029
2-methyl-N-(4-morpholin-4-ylphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 2111262
2-(4-tert-butylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 25483949
2-(4-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 4880247
3-methyl-4-[[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 55989215
2-(3-fluoro-4-methylanilino)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 9100033
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-2-(2-piperidin-1-ylanilino)acetamide
CID 4839885
2-(2-chloro-4-methylanilino)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)acetamide
CID 16553115
N-(4-morpholin-4-ylsulfonylphenyl)-2-(4-propan-2-ylanilino)acetamide
CID 25332078
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide (CID 2361311) is N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide is Cc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide?
The InChIKey is ZTKFACLULPJVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-19-17-22(33(30,31)28-13-15-32-16-14-28)9-10-23(19)26-24(29)18-25-20-5-7-21(8-6-20)27-11-3-2-4-12-27/h5-10,17,25H,2-4,11-16,18H2,1H3,(H,26,29).
What are the key properties of N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide?
N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide has a molecular weight of 472.61 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-morpholin-4-ylsulfonylphenyl)-2-(4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 2361311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).