(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

C16H25N3O4S — CID 119270843

IUPAC(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H25N3O4S/c1-3-23-14-8-7-13(18-16(20)12(2)17)11-15(14)24(21,22)19-9-5-4-6-10-19/h7-8,11-12H,3-6,9-10,17H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyMEMCQPMXHBJKAL-LBPRGKRZSA-N
MW355.46 g/mol
LogP1.55
Rot. Bonds6

About (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide

(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (PubChem CID 119270843) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
PubChem CID119270843
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
SMILESCCOc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C16H25N3O4S/c1-3-23-14-8-7-13(18-16(20)12(2)17)11-15(14)24(21,22)19-9-5-4-6-10-19/h7-8,11-12H,3-6,9-10,17H2,1-2H3,(H,18,20)/t12-/m0/s1
InChIKeyMEMCQPMXHBJKAL-LBPRGKRZSA-N
XLogP1.55
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751
(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-(2-cyanophenoxy)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55598302
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733
(2S)-2-amino-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]propanamide
CID 119273214
(2S)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-2-phenylsulfanylacetamide
CID 25440580
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide (CID 119270843) is (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is CCOc1ccc(NC(=O)[C@H](C)N)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is MEMCQPMXHBJKAL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-3-23-14-8-7-13(18-16(20)12(2)17)11-15(14)24(21,22)19-9-5-4-6-10-19/h7-8,11-12H,3-6,9-10,17H2,1-2H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide?
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 119270843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).