2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride

C19H32ClN3O4S — CID 119688751

IUPAC2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)C(C)CC)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-4-14(3)18(20)19(23)21-15-9-10-16(26-5-2)17(13-15)27(24,25)22-11-7-6-8-12-22;/h9-10,13-14,18H,4-8,11-12,20H2,1-3H3,(H,21,23);1H
InChIKeyCBMPKFBMUHKUIA-UHFFFAOYSA-N
MW434.00 g/mol
LogP2.99
Rot. Bonds8

About 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride

2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride (PubChem CID 119688751) has the molecular formula C19H32ClN3O4S and a molecular weight of 434.00 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
PubChem CID119688751
Molecular FormulaC19H32ClN3O4S
Molecular Weight434.00 g/mol
Exact Mass433.18
IUPAC Name2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C(N)C(C)CC)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C19H31N3O4S.ClH/c1-4-14(3)18(20)19(23)21-15-9-10-16(26-5-2)17(13-15)27(24,25)22-11-7-6-8-12-22;/h9-10,13-14,18H,4-8,11-12,20H2,1-3H3,(H,21,23);1H
InChIKeyCBMPKFBMUHKUIA-UHFFFAOYSA-N
XLogP2.99
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.00
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
1-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 51945406
(2S)-2-amino-N-(4-ethoxy-3-morpholin-4-ylsulfonylphenyl)-4-methylpentanamide
CID 119693241
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55874596
2-amino-3-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 119263670
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 25440580
2-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55598302
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride (CID 119688751) is 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride is CCOc1ccc(NC(=O)C(N)C(C)CC)cc1S(=O)(=O)N1CCCCC1.Cl.
What is the InChIKey of 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride?
The InChIKey is CBMPKFBMUHKUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O4S.ClH/c1-4-14(3)18(20)19(23)21-15-9-10-16(26-5-2)17(13-15)27(24,25)22-11-7-6-8-12-22;/h9-10,13-14,18H,4-8,11-12,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride?
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride has a molecular weight of 434.00 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119688751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).