N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide

C16H24N2O4S — CID 110343681

IUPACN-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2C)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-12(2)17-16(19)14-5-7-15(8-6-14)23(20,21)18-9-10-22-11-13(18)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyFASQUGGGJRTNBJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.62
Rot. Bonds5

About N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide

N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 110343681) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
PubChem CID110343681
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2C)cc1
InChIInChI=1S/C16H24N2O4S/c1-4-12(2)17-16(19)14-5-7-15(8-6-14)23(20,21)18-9-10-22-11-13(18)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19)
InChIKeyFASQUGGGJRTNBJ-UHFFFAOYSA-N
XLogP1.62
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
3-(3-methylmorpholin-4-yl)sulfonyl-N-propan-2-ylbenzamide
CID 110343522
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
CID 110352399
N-[(2S)-heptan-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 7927777
N-[2-(butan-2-ylamino)-2-oxoethyl]-4-morpholin-4-ylsulfonylbenzamide
CID 112990790
N-butan-2-yl-4-morpholin-4-ylbenzamide
CID 47147969
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide (CID 110343681) is N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide is CCC(C)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2C)cc1.
What is the InChIKey of N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is FASQUGGGJRTNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-4-12(2)17-16(19)14-5-7-15(8-6-14)23(20,21)18-9-10-22-11-13(18)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide?
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 1.62, 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-4-(3-methylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 110343681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).