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

C14H22ClN3O4S — CID 119327443

IUPAC3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCN)ccc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-21-12-10-11(16-14(18)6-7-15)4-5-13(12)22(19,20)17-8-2-3-9-17;/h4-5,10H,2-3,6-9,15H2,1H3,(H,16,18);1H
InChIKeyRHOKEQHPESKNEW-UHFFFAOYSA-N
MW363.87 g/mol
LogP1.19
Rot. Bonds6

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

3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride (PubChem CID 119327443) has the molecular formula C14H22ClN3O4S and a molecular weight of 363.87 g/mol. Its IUPAC name is 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
PubChem CID119327443
Molecular FormulaC14H22ClN3O4S
Molecular Weight363.87 g/mol
Exact Mass363.10
IUPAC Name3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
SMILESCOc1cc(NC(=O)CCN)ccc1S(=O)(=O)N1CCCC1.Cl
InChIInChI=1S/C14H21N3O4S.ClH/c1-21-12-10-11(16-14(18)6-7-15)4-5-13(12)22(19,20)17-8-2-3-9-17;/h4-5,10H,2-3,6-9,15H2,1H3,(H,16,18);1H
InChIKeyRHOKEQHPESKNEW-UHFFFAOYSA-N
XLogP1.19
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 51.19
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
3-(3-fluorophenyl)-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 86955894
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)pentanamide;hydrochloride
CID 119327459
2-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)-2-methylpentanamide;hydrochloride
CID 119790374
4-amino-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 120558840
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
N-(3,4-dimethoxyphenyl)-3-pyrrolidin-1-ylsulfonylpropanamide
CID 110342568
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-(methylamino)acetamide
CID 119677452
2-(2-methoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 4800928
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The IUPAC name of 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride (CID 119327443) is 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride is COc1cc(NC(=O)CCN)ccc1S(=O)(=O)N1CCCC1.Cl.
What is the InChIKey of 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
The InChIKey is RHOKEQHPESKNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S.ClH/c1-21-12-10-11(16-14(18)6-7-15)4-5-13(12)22(19,20)17-8-2-3-9-17;/h4-5,10H,2-3,6-9,15H2,1H3,(H,16,18);1H.
What are the key properties of 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride?
3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-methoxy-4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119327443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).