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

C17H26N2O4S — CID 46584081

IUPACN-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C)CC)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O4S/c1-4-13(3)18-17(20)15-7-6-14(5-2)16(12-15)24(21,22)19-8-10-23-11-9-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyMGHAINLNCRGILK-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.80
Rot. Bonds6

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

N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 46584081) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID46584081
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NC(C)CC)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H26N2O4S/c1-4-13(3)18-17(20)15-7-6-14(5-2)16(12-15)24(21,22)19-8-10-23-11-9-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20)
InChIKeyMGHAINLNCRGILK-UHFFFAOYSA-N
XLogP1.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46401617
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
4-chloro-N-(5-methylhexan-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 42904495
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579646

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 46584081) is N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)NC(C)CC)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is MGHAINLNCRGILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-4-13(3)18-17(20)15-7-6-14(5-2)16(12-15)24(21,22)19-8-10-23-11-9-19/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,18,20).
What are the key properties of N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 354.47 g/mol, XLogP of 1.80, 6 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-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 46584081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).