N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide

C24H30N4O5S — CID 16589804

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(CN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)Nc1ccccc1
InChIInChI=1S/C24H30N4O5S/c29-23(25-20-6-2-1-3-7-20)18-27-11-9-21(10-12-27)26-24(30)19-5-4-8-22(17-19)34(31,32)28-13-15-33-16-14-28/h1-8,17,21H,9-16,18H2,(H,25,29)(H,26,30)
InChIKeyXGYLIJGSZBKHFJ-UHFFFAOYSA-N
MW486.59 g/mol
LogP1.54
Rot. Bonds7

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 16589804) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID16589804
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(CN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)Nc1ccccc1
InChIInChI=1S/C24H30N4O5S/c29-23(25-20-6-2-1-3-7-20)18-27-11-9-21(10-12-27)26-24(30)19-5-4-8-22(17-19)34(31,32)28-13-15-33-16-14-28/h1-8,17,21H,9-16,18H2,(H,25,29)(H,26,30)
InChIKeyXGYLIJGSZBKHFJ-UHFFFAOYSA-N
XLogP1.54
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methylcyclohexyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4546258
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[3-(3-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 8874279
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
1-[2-[2-(3-morpholin-4-ylsulfonylbenzoyl)hydrazinyl]-2-oxoethyl]-3-phenylurea
CID 24583542
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(methylsulfinylmethyl)benzamide
CID 16613506
2-(4-methylpiperidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 1152713
N-cyclopropyl-3-[[2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetyl]amino]benzamide
CID 24582052
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]sulfamoyl]-N-prop-2-enylbenzamide
CID 55903024
3-(azocan-1-ylsulfonyl)-N-[(3S)-oxolan-3-yl]benzamide
CID 97202366

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide (CID 16589804) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide is O=C(CN1CCC(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1)Nc1ccccc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XGYLIJGSZBKHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c29-23(25-20-6-2-1-3-7-20)18-27-11-9-21(10-12-27)26-24(30)19-5-4-8-22(17-19)34(31,32)28-13-15-33-16-14-28/h1-8,17,21H,9-16,18H2,(H,25,29)(H,26,30).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 486.59 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16589804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).