N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride

C16H22ClN3O3S — CID 120567726

IUPACN-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
SMILESCC(NS(C)(=O)=O)C(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-11(19-23(2,21)22)16(20)18-15(10-17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15,19H,10,17H2,1-2H3,(H,18,20);1H
InChIKeySHZFBSBZYGITKC-UHFFFAOYSA-N
MW371.89 g/mol
LogP1.32
Rot. Bonds6

About N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride

N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride (PubChem CID 120567726) has the molecular formula C16H22ClN3O3S and a molecular weight of 371.89 g/mol. Its IUPAC name is N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
PubChem CID120567726
Molecular FormulaC16H22ClN3O3S
Molecular Weight371.89 g/mol
Exact Mass371.11
IUPAC NameN-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride
SMILESCC(NS(C)(=O)=O)C(=O)NC(CN)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H21N3O3S.ClH/c1-11(19-23(2,21)22)16(20)18-15(10-17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15,19H,10,17H2,1-2H3,(H,18,20);1H
InChIKeySHZFBSBZYGITKC-UHFFFAOYSA-N
XLogP1.32
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)-2-methylpropanamide;hydrochloride
CID 120597706
N-(2-amino-1-naphthalen-2-ylethyl)-3-methylbutanamide
CID 120567667
N-(2-amino-1-naphthalen-2-ylethyl)-2-prop-2-enylpent-4-enamide;hydrochloride
CID 120567542
3-amino-N-(2-amino-1-naphthalen-2-ylethyl)propanamide
CID 122081221
2-[2-amino-1-(dimethylsulfamoylamino)ethyl]naphthalene
CID 120584363
N-(1-naphthalen-2-ylethyl)methanesulfonamide
CID 3715918
N-(2-amino-1-naphthalen-2-ylethyl)butane-1-sulfonamide;hydrochloride
CID 120584320
N-[2-[(2-amino-1-naphthalen-2-ylethyl)amino]-2-oxoethyl]-3,3-dimethylbutanamide;hydrochloride
CID 120567986
N-(2-amino-1-naphthalen-2-ylethyl)-4-methylsulfanylbutanamide;hydrochloride
CID 120567970
N-(2-amino-1-naphthalen-2-ylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120567632
N-(2-amino-1-naphthalen-2-ylethyl)-2-(ethylsulfonylamino)ethanesulfonamide;hydrochloride
CID 120584336
N-(2-amino-1-naphthalen-2-ylethyl)-2-(2-ethoxyethylsulfonylamino)acetamide;hydrochloride
CID 120567612

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride?
The IUPAC name of N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride (CID 120567726) is N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride is CC(NS(C)(=O)=O)C(=O)NC(CN)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride?
The InChIKey is SHZFBSBZYGITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S.ClH/c1-11(19-23(2,21)22)16(20)18-15(10-17)14-8-7-12-5-3-4-6-13(12)9-14;/h3-9,11,15,19H,10,17H2,1-2H3,(H,18,20);1H.
What are the key properties of N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride?
N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-naphthalen-2-ylethyl)-2-(methanesulfonamido)propanamide;hydrochloride is sourced from PubChem (CID 120567726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).