4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C23H29N3O6S2 — CID 92646444

IUPAC4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O6S2/c27-23(20-6-4-19(5-7-20)18-33(28,29)25-14-16-32-17-15-25)24-21-8-10-22(11-9-21)34(30,31)26-12-2-1-3-13-26/h4-11H,1-3,12-18H2,(H,24,27)
InChIKeyNFBUPBLCSPYLNX-UHFFFAOYSA-N
MW507.63 g/mol
LogP2.28
Rot. Bonds7

About 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 92646444) has the molecular formula C23H29N3O6S2 and a molecular weight of 507.63 g/mol. Its IUPAC name is 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID92646444
Molecular FormulaC23H29N3O6S2
Molecular Weight507.63 g/mol
Exact Mass507.15
IUPAC Name4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H29N3O6S2/c27-23(20-6-4-19(5-7-20)18-33(28,29)25-14-16-32-17-15-25)24-21-8-10-22(11-9-21)34(30,31)26-12-2-1-3-13-26/h4-11H,1-3,12-18H2,(H,24,27)
InChIKeyNFBUPBLCSPYLNX-UHFFFAOYSA-N
XLogP2.28
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.63
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(azepan-1-ylsulfonyl)phenyl]-4-(morpholin-4-ylmethyl)benzamide
CID 126320858
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915600
4-iodo-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 3955565
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43886199
methyl 4-[[4-(morpholin-4-ylsulfonylmethyl)benzoyl]amino]benzoate
CID 92676862
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-(4-ethylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 26697285
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 43915882
4-(acetamidomethyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 43030692
N-(4-acetylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1152899
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1157332

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 92646444) is 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is NFBUPBLCSPYLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O6S2/c27-23(20-6-4-19(5-7-20)18-33(28,29)25-14-16-32-17-15-25)24-21-8-10-22(11-9-21)34(30,31)26-12-2-1-3-13-26/h4-11H,1-3,12-18H2,(H,24,27).
What are the key properties of 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 507.63 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylsulfonylmethyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 92646444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).