N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide

C16H24N2O4S — CID 2476157

IUPACN-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-4-9-17(2)16(19)14-5-7-15(8-6-14)23(20,21)18-10-12-22-13-11-18/h5-8H,3-4,9-13H2,1-2H3
InChIKeyRIDFXTHYTHMPDD-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.58
Rot. Bonds6

About N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide

N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 2476157) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide
PubChem CID2476157
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide
SMILESCCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-4-9-17(2)16(19)14-5-7-15(8-6-14)23(20,21)18-10-12-22-13-11-18/h5-8H,3-4,9-13H2,1-2H3
InChIKeyRIDFXTHYTHMPDD-UHFFFAOYSA-N
XLogP1.58
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Aminodi(Ethyloxy)Ethylaminocarbonylbenzenesulfonamide
CID 2144
4-Sulfamylbenzamide,N-hexyl
CID 11778627
4-(4-Phenylpiperidin-1-yl)carbonylbenzenesulfonamide
CID 135393499
4-[4-[(4-Fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide
CID 135393501
Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamide
CID 444849
N-Butyl 4-sulfamylbenzamide
CID 10355056
N-Pentyl 4-sulfamylbenzamide
CID 23274923
(4-Methylpiperidin-1-yl)(4-(morpholinosulfonyl)phenyl)methanone
CID 1158041
1-(4-Methylbenzoyl)-4-(phenylsulfonyl)piperazine
CID 707395
Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
CID 2150
4-[(3~{S})-4-ethanoyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 134158397
4-[(3~{S})-4-methyl-3-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide
CID 145959374

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide (CID 2476157) is N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide is CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is RIDFXTHYTHMPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-4-9-17(2)16(19)14-5-7-15(8-6-14)23(20,21)18-10-12-22-13-11-18/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide?
N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 340.45 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2476157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).