N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

C18H30ClN3O4S — CID 119599089

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C18H29N3O4S.ClH/c1-14(2)12-18(3,13-19)20-17(22)15-5-4-6-16(11-15)26(23,24)21-7-9-25-10-8-21;/h4-6,11,14H,7-10,12-13,19H2,1-3H3,(H,20,22);1H
InChIKeyPMQURAZKTYROGP-UHFFFAOYSA-N
MW419.98 g/mol
LogP1.62
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119599089) has the molecular formula C18H30ClN3O4S and a molecular weight of 419.98 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119599089
Molecular FormulaC18H30ClN3O4S
Molecular Weight419.98 g/mol
Exact Mass419.16
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C18H29N3O4S.ClH/c1-14(2)12-18(3,13-19)20-17(22)15-5-4-6-16(11-15)26(23,24)21-7-9-25-10-8-21;/h4-6,11,14H,7-10,12-13,19H2,1-3H3,(H,20,22);1H
InChIKeyPMQURAZKTYROGP-UHFFFAOYSA-N
XLogP1.62
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.98
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119570578
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-[(2R)-5-methylhexan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 7688948
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119599772
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylbenzamide;hydrochloride
CID 119599324
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(prop-2-enylsulfamoyl)benzamide;hydrochloride
CID 119597463
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 119597476
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide;hydrochloride
CID 119607730
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
N-[1-(ethylamino)-1-oxopropan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 45353538
N-(2-amino-1-cyclopropylethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 119615604

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119599089) is N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is PMQURAZKTYROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S.ClH/c1-14(2)12-18(3,13-19)20-17(22)15-5-4-6-16(11-15)26(23,24)21-7-9-25-10-8-21;/h4-6,11,14H,7-10,12-13,19H2,1-3H3,(H,20,22);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 419.98 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119599089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).