2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide

C18H29N3O4S — CID 119677476

IUPAC2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-10-18(2,19)17(22)20-14-8-9-15(25-3)16(13-14)26(23,24)21-11-6-5-7-12-21/h8-9,13H,4-7,10-12,19H2,1-3H3,(H,20,22)
InChIKeyYZXOAFUZPPLDNL-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.33
Rot. Bonds7

About 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide

2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide (PubChem CID 119677476) has the molecular formula C18H29N3O4S and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
PubChem CID119677476
Molecular FormulaC18H29N3O4S
Molecular Weight383.51 g/mol
Exact Mass383.19
IUPAC Name2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C18H29N3O4S/c1-4-10-18(2,19)17(22)20-14-8-9-15(25-3)16(13-14)26(23,24)21-11-6-5-7-12-21/h8-9,13H,4-7,10-12,19H2,1-3H3,(H,20,22)
InChIKeyYZXOAFUZPPLDNL-UHFFFAOYSA-N
XLogP2.33
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide
CID 119687733
2-amino-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119677515
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
1-tert-butyl-3-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)urea
CID 4803267
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
(E)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)but-2-enamide
CID 6212937
3,4-dimethoxy-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26174301
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide?
The IUPAC name of 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide (CID 119677476) is 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide?
The canonical SMILES for 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide is CCCC(C)(N)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide?
The InChIKey is YZXOAFUZPPLDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4S/c1-4-10-18(2,19)17(22)20-14-8-9-15(25-3)16(13-14)26(23,24)21-11-6-5-7-12-21/h8-9,13H,4-7,10-12,19H2,1-3H3,(H,20,22).
What are the key properties of 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide?
2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide has a molecular weight of 383.51 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-methylpentanamide is sourced from PubChem (CID 119677476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).