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

C19H32ClN3O4S — CID 119606089

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCCc1ccc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-5-15-6-7-16(18(23)21-19(4,13-20)14(2)3)12-17(15)27(24,25)22-8-10-26-11-9-22;/h6-7,12,14H,5,8-11,13,20H2,1-4H3,(H,21,23);1H
InChIKeySRAQYIZFFRBKDF-UHFFFAOYSA-N
MW434.00 g/mol
LogP1.79
Rot. Bonds7

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

N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (PubChem CID 119606089) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
PubChem CID119606089
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
SMILESCCc1ccc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-5-15-6-7-16(18(23)21-19(4,13-20)14(2)3)12-17(15)27(24,25)22-8-10-26-11-9-22;/h6-7,12,14H,5,8-11,13,20H2,1-4H3,(H,21,23);1H
InChIKeySRAQYIZFFRBKDF-UHFFFAOYSA-N
XLogP1.79
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
N-(1-amino-2,3-dimethylbutan-2-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 119607326
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
N-(3-amino-2,2-dimethylpropyl)-4-ethyl-N-methyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119653213
N-[3-(aminomethyl)pentan-3-yl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 119571738
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
N-[1-(2-bromophenyl)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55578878

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride (CID 119606089) is N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is CCc1ccc(C(=O)NC(C)(CN)C(C)C)cc1S(=O)(=O)N1CCOCC1.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
The InChIKey is SRAQYIZFFRBKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-5-15-6-7-16(18(23)21-19(4,13-20)14(2)3)12-17(15)27(24,25)22-8-10-26-11-9-22;/h6-7,12,14H,5,8-11,13,20H2,1-4H3,(H,21,23);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119606089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).