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

C16H26ClN3O4S — CID 120562885

IUPAC4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCC(C)N)ccc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-12(17)5-8-16(20)18-13-6-7-15(14(11-13)23-2)24(21,22)19-9-3-4-10-19;/h6-7,11-12H,3-5,8-10,17H2,1-2H3,(H,18,20);1H
InChIKeyJVWRYLYIXLNESP-UHFFFAOYSA-N
MW391.92 g/mol
LogP1.97
Rot. Bonds7

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

4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride (PubChem CID 120562885) has the molecular formula C16H26ClN3O4S and a molecular weight of 391.92 g/mol. Its IUPAC name is 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
PubChem CID120562885
Molecular FormulaC16H26ClN3O4S
Molecular Weight391.92 g/mol
Exact Mass391.13
IUPAC Name4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCC(C)N)ccc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C16H25N3O4S.ClH/c1-12(17)5-8-16(20)18-13-6-7-15(14(11-13)23-2)24(21,22)19-9-3-4-10-19;/h6-7,11-12H,3-5,8-10,17H2,1-2H3,(H,18,20);1H
InChIKeyJVWRYLYIXLNESP-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-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119327443
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 119327459
4-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pentanamide
CID 120559201
3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 86955894
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
4-(4-aminopentanoylamino)-2-methoxybenzoic acid
CID 107208189
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
(2S)-2-amino-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-methylpentanamide;hydrochloride
CID 119687734
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride (CID 120562885) is 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride is COc1cc(NC(=O)CCC(C)N)ccc1S(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
The InChIKey is JVWRYLYIXLNESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S.ClH/c1-12(17)5-8-16(20)18-13-6-7-15(14(11-13)23-2)24(21,22)19-9-3-4-10-19;/h6-7,11-12H,3-5,8-10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride?
4-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 4-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride is sourced from PubChem (CID 120562885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).