3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide

C23H28N2O4S — CID 86948603

IUPAC3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H28N2O4S/c26-22(24-23(12-5-2-6-13-23)20-9-3-1-4-10-20)19-8-7-11-21(18-19)30(27,28)25-14-16-29-17-15-25/h1,3-4,7-11,18H,2,5-6,12-17H2,(H,24,26)
InChIKeyBQDMLTOSDYKBRD-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.30
Rot. Bonds5

About 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide

3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide (PubChem CID 86948603) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
PubChem CID86948603
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
SMILESO=C(NC1(c2ccccc2)CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C23H28N2O4S/c26-22(24-23(12-5-2-6-13-23)20-9-3-1-4-10-20)19-8-7-11-21(18-19)30(27,28)25-14-16-29-17-15-25/h1,3-4,7-11,18H,2,5-6,12-17H2,(H,24,26)
InChIKeyBQDMLTOSDYKBRD-UHFFFAOYSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylcyclobutyl)benzamide
CID 55461868
2-fluoro-5-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide
CID 86948596
3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 17016191
2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
1-[(3-piperidin-1-ylsulfonylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 17418883
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17391709
N'-methyl-3-morpholin-4-ylsulfonyl-N'-phenylbenzohydrazide
CID 9479543
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-(2-iodophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 5217633
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-3-morpholin-4-ylsulfonylbenzamide
CID 60551800
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55622459
N-(cyclopentylideneamino)-3-morpholin-4-ylsulfonylbenzamide
CID 9061071

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
The IUPAC name of 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide (CID 86948603) is 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide.
What is the SMILES notation for 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
The canonical SMILES for 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide is O=C(NC1(c2ccccc2)CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
The InChIKey is BQDMLTOSDYKBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c26-22(24-23(12-5-2-6-13-23)20-9-3-1-4-10-20)19-8-7-11-21(18-19)30(27,28)25-14-16-29-17-15-25/h1,3-4,7-11,18H,2,5-6,12-17H2,(H,24,26).
What are the key properties of 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide?
3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonyl-N-(1-phenylcyclohexyl)benzamide is sourced from PubChem (CID 86948603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).