N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

C20H28ClN3O3S — CID 120567466

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C20H27N3O3S.ClH/c21-15-19(18-10-9-16-6-1-2-7-17(16)14-18)22-20(24)8-5-13-27(25,26)23-11-3-4-12-23;/h1-2,6-7,9-10,14,19H,3-5,8,11-13,15,21H2,(H,22,24);1H
InChIKeyAGUFYTCWKXHSHX-UHFFFAOYSA-N
MW425.98 g/mol
LogP2.58
Rot. Bonds8

About N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (PubChem CID 120567466) has the molecular formula C20H28ClN3O3S and a molecular weight of 425.98 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
PubChem CID120567466
Molecular FormulaC20H28ClN3O3S
Molecular Weight425.98 g/mol
Exact Mass425.15
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride
SMILESCl.NCC(NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C20H27N3O3S.ClH/c21-15-19(18-10-9-16-6-1-2-7-17(16)14-18)22-20(24)8-5-13-27(25,26)23-11-3-4-12-23;/h1-2,6-7,9-10,14,19H,3-5,8,11-13,15,21H2,(H,22,24);1H
InChIKeyAGUFYTCWKXHSHX-UHFFFAOYSA-N
XLogP2.58
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.98
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 122081221
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-oxoazocan-1-yl)acetamide
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N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120567800
3-N-(2-amino-1-naphthalen-2-ylethyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 120568002
N-(2-amino-1-naphthalen-2-ylethyl)-3-(oxan-2-yl)propanamide
CID 120567831
1-N-(2-amino-1-naphthalen-2-ylethyl)cyclohexane-1,3-dicarboxamide
CID 167749206
N-(2-amino-1-naphthalen-2-ylethyl)-2-(oxolan-2-yl)acetamide;hydrochloride
CID 120567600
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
CID 120567612
N-(2-amino-1-naphthalen-2-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120567918
N-(2-amino-1-naphthalen-2-ylethyl)oxane-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride (CID 120567466) is N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is Cl.NCC(NC(=O)CCCS(=O)(=O)N1CCCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
The InChIKey is AGUFYTCWKXHSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S.ClH/c21-15-19(18-10-9-16-6-1-2-7-17(16)14-18)22-20(24)8-5-13-27(25,26)23-11-3-4-12-23;/h1-2,6-7,9-10,14,19H,3-5,8,11-13,15,21H2,(H,22,24);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride has a molecular weight of 425.98 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-4-pyrrolidin-1-ylsulfonylbutanamide;hydrochloride is sourced from PubChem (CID 120567466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).