N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide

C15H22N2O4S — CID 42906024

IUPACN-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-3-12(2)16-15(18)13-5-4-6-14(11-13)22(19,20)17-7-9-21-10-8-17/h4-6,11-12H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyZXAVCYKMCGLKHB-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.24
Rot. Bonds5

About N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide

N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 42906024) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID42906024
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC NameN-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C15H22N2O4S/c1-3-12(2)16-15(18)13-5-4-6-14(11-13)22(19,20)17-7-9-21-10-8-17/h4-6,11-12H,3,7-10H2,1-2H3,(H,16,18)
InChIKeyZXAVCYKMCGLKHB-UHFFFAOYSA-N
XLogP1.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-[(2R)-butan-2-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 34269316
N-[(2S)-butan-2-yl]-2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]benzamide
CID 26706203
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-(1-adamantyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 43011512
N-[(1S)-1-(furan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 9481709
3-morpholin-4-ylsulfonyl-N-(2-pyrrolidin-1-ylbutyl)benzamide
CID 43064823
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7733419
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944643
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 7944640

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide (CID 42906024) is N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide is CCC(C)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZXAVCYKMCGLKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-12(2)16-15(18)13-5-4-6-14(11-13)22(19,20)17-7-9-21-10-8-17/h4-6,11-12H,3,7-10H2,1-2H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide?
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 42906024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).