4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide

C17H27N3O4S — CID 120559201

IUPAC4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
SMILESCCOc1ccc(NC(=O)CCC(C)N)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H27N3O4S/c1-3-24-15-8-7-14(19-17(21)9-6-13(2)18)12-16(15)25(22,23)20-10-4-5-11-20/h7-8,12-13H,3-6,9-11,18H2,1-2H3,(H,19,21)
InChIKeyJYZRCKZKYHHBIH-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.94
Rot. Bonds8

About 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide

4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide (PubChem CID 120559201) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
PubChem CID120559201
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
SMILESCCOc1ccc(NC(=O)CCC(C)N)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C17H27N3O4S/c1-3-24-15-8-7-14(19-17(21)9-6-13(2)18)12-16(15)25(22,23)20-10-4-5-11-20/h7-8,12-13H,3-6,9-11,18H2,1-2H3,(H,19,21)
InChIKeyJYZRCKZKYHHBIH-UHFFFAOYSA-N
XLogP1.94
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
(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-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751
tert-butyl N-[3-(4-ethoxy-3-pyrrolidin-1-ylsulfonylanilino)-3-oxopropyl]carbamate
CID 31361726
3-(4-chlorophenyl)-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 24620503
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9006776
1-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 51945406
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-2-(3-methylbutanoylamino)butanamide
CID 55874596
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 31009996
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
The IUPAC name of 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide (CID 120559201) is 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide.
What is the SMILES notation for 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
The canonical SMILES for 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide is CCOc1ccc(NC(=O)CCC(C)N)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
The InChIKey is JYZRCKZKYHHBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-3-24-15-8-7-14(19-17(21)9-6-13(2)18)12-16(15)25(22,23)20-10-4-5-11-20/h7-8,12-13H,3-6,9-11,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide?
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide has a molecular weight of 369.49 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide is sourced from PubChem (CID 120559201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).