N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

C17H28ClN3O4S — CID 119495645

IUPACN-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCCc1ccc(C(=O)NCCC(C)N)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-3-14-4-5-15(17(21)19-7-6-13(2)18)12-16(14)25(22,23)20-8-10-24-11-9-20;/h4-5,12-13H,3,6-11,18H2,1-2H3,(H,19,21);1H
InChIKeyQEZYHSPCNWKLBF-UHFFFAOYSA-N
MW405.95 g/mol
LogP1.16
Rot. Bonds7

About N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119495645) has the molecular formula C17H28ClN3O4S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119495645
Molecular FormulaC17H28ClN3O4S
Molecular Weight405.95 g/mol
Exact Mass405.15
IUPAC NameN-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCCc1ccc(C(=O)NCCC(C)N)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C17H27N3O4S.ClH/c1-3-14-4-5-15(17(21)19-7-6-13(2)18)12-16(14)25(22,23)20-8-10-24-11-9-20;/h4-5,12-13H,3,6-11,18H2,1-2H3,(H,19,21);1H
InChIKeyQEZYHSPCNWKLBF-UHFFFAOYSA-N
XLogP1.16
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
4-ethyl-3-morpholin-4-ylsulfonyl-N-(1-pyridin-2-ylethyl)benzamide
CID 46581143
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058620
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878
N-[2-(3-chlorophenoxy)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55724631

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119495645) is N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is CCc1ccc(C(=O)NCCC(C)N)cc1S(=O)(=O)N1CCOCC1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is QEZYHSPCNWKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S.ClH/c1-3-14-4-5-15(17(21)19-7-6-13(2)18)12-16(14)25(22,23)20-8-10-24-11-9-20;/h4-5,12-13H,3,6-11,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 405.95 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119495645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).