N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

C17H27N3O4S — CID 119626593

IUPACN-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)(C)N)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H27N3O4S/c1-4-13-5-6-14(16(21)19-12-17(2,3)18)11-15(13)25(22,23)20-7-9-24-10-8-20/h5-6,11H,4,7-10,12,18H2,1-3H3,(H,19,21)
InChIKeySYDKGJROLWYQGS-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.74
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide

N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 119626593) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID119626593
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC NameN-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)NCC(C)(C)N)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C17H27N3O4S/c1-4-13-5-6-14(16(21)19-12-17(2,3)18)11-15(13)25(22,23)20-7-9-24-10-8-20/h5-6,11H,4,7-10,12,18H2,1-3H3,(H,19,21)
InChIKeySYDKGJROLWYQGS-UHFFFAOYSA-N
XLogP0.74
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
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-2,3-dimethylbutan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119606089
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510642
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
N-(1-amino-4-methylpentan-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119585997
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 43058620

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide (CID 119626593) is N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)NCC(C)(C)N)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SYDKGJROLWYQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-4-13-5-6-14(16(21)19-12-17(2,3)18)11-15(13)25(22,23)20-7-9-24-10-8-20/h5-6,11H,4,7-10,12,18H2,1-3H3,(H,19,21).
What are the key properties of N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide?
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 369.49 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 119626593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).