2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide

C22H27ClN2O4S — CID 43875346

IUPAC2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C22H27ClN2O4S/c1-16(2)14-21(17-6-4-3-5-7-17)24-22(26)19-15-18(8-9-20(19)23)30(27,28)25-10-12-29-13-11-25/h3-9,15-16,21H,10-14H2,1-2H3,(H,24,26)
InChIKeyJQAKJKWUNKMNDP-UHFFFAOYSA-N
MW450.99 g/mol
LogP3.88
Rot. Bonds7

About 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide

2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 43875346) has the molecular formula C22H27ClN2O4S and a molecular weight of 450.99 g/mol. Its IUPAC name is 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
PubChem CID43875346
Molecular FormulaC22H27ClN2O4S
Molecular Weight450.99 g/mol
Exact Mass450.14
IUPAC Name2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
SMILESCC(C)CC(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C22H27ClN2O4S/c1-16(2)14-21(17-6-4-3-5-7-17)24-22(26)19-15-18(8-9-20(19)23)30(27,28)25-10-12-29-13-11-25/h3-9,15-16,21H,10-14H2,1-2H3,(H,24,26)
InChIKeyJQAKJKWUNKMNDP-UHFFFAOYSA-N
XLogP3.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.99
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
2-chloro-5-morpholin-4-ylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 35728362
2-chloro-N-[1-(4-methylphenyl)propyl]-5-morpholin-4-ylsulfonylbenzamide
CID 43000663
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
5-(azepan-1-ylsulfonyl)-2-chloro-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzamide
CID 46763173
2-chloro-N-(3-methyl-1-phenylbutyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55371507
4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30399892
2-fluoro-5-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712990
2-chloro-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28631183
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenylethyl)benzamide
CID 27670888
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106
N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 132664657

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide (CID 43875346) is 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide is CC(C)CC(NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is JQAKJKWUNKMNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O4S/c1-16(2)14-21(17-6-4-3-5-7-17)24-22(26)19-15-18(8-9-20(19)23)30(27,28)25-10-12-29-13-11-25/h3-9,15-16,21H,10-14H2,1-2H3,(H,24,26).
What are the key properties of 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide?
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 450.99 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 43875346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).