2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride

C16H26ClN3O4S — CID 119327459

IUPAC2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-3-6-13(17)16(20)18-12-7-8-15(14(11-12)23-2)24(21,22)19-9-4-5-10-19;/h7-8,11,13H,3-6,9-10,17H2,1-2H3,(H,18,20);1H
InChIKeyLQCDDXQRGZADDA-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.97
Rot. Bonds7

About 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride

2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride (PubChem CID 119327459) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
PubChem CID119327459
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
SMILESCCCC(N)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-3-6-13(17)16(20)18-12-7-8-15(14(11-12)23-2)24(21,22)19-9-4-5-10-19;/h7-8,11,13H,3-6,9-10,17H2,1-2H3,(H,18,20);1H
InChIKeyLQCDDXQRGZADDA-UHFFFAOYSA-N
XLogP1.97
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 120562885
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
4-[[(2R)-2-aminopentanoyl]amino]-2-methoxybenzoic acid
CID 107570971
(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
(2S)-2-amino-N-(4-ethoxy-3-methoxyphenyl)pentanamide
CID 93268119
(2S)-2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 119270843
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
2-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-methylpentanamide;hydrochloride
CID 119688751
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
5-bromo-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazole-3-carboxamide
CID 167936199

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride (CID 119327459) is 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride is CCCC(N)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1.Cl.
What is the InChIKey of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
The InChIKey is LQCDDXQRGZADDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-3-6-13(17)16(20)18-12-7-8-15(14(11-12)23-2)24(21,22)19-9-4-5-10-19;/h7-8,11,13H,3-6,9-10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride has a molecular weight of 391.92 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 119327459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).