2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide

C18H29N3O4S — CID 119687733

IUPAC2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-10-18(3,19)17(22)20-14-8-9-15(25-5-2)16(13-14)26(23,24)21-11-6-7-12-21/h8-9,13H,4-7,10-12,19H2,1-3H3,(H,20,22)
InChIKeyNDPDRVZPSNOLPW-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.33
Rot. Bonds8

About 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide

2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide (PubChem CID 119687733) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
PubChem CID119687733
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-10-18(3,19)17(22)20-14-8-9-15(25-5-2)16(13-14)26(23,24)21-11-6-7-12-21/h8-9,13H,4-7,10-12,19H2,1-3H3,(H,20,22)
InChIKeyNDPDRVZPSNOLPW-UHFFFAOYSA-N
XLogP2.33
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119677476
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119677515
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270305
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
2-amino-N-(3-chloro-4-ethoxyphenyl)-2-methylpentanamide;hydrochloride
CID 119715576
(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119270317
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
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide (CID 119687733) is 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide?
The InChIKey is NDPDRVZPSNOLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-10-18(3,19)17(22)20-14-8-9-15(25-5-2)16(13-14)26(23,24)21-11-6-7-12-21/h8-9,13H,4-7,10-12,19H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide?
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide has a molecular weight of 383.51 g/mol, XLogP of 2.33, 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-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide is sourced from PubChem (CID 119687733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).