(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide

C17H22N2O3S — CID 124596970

IUPAC(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
SMILESCN(Cc1cccc2ccccc12)C(=O)[C@H](N)CCS(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-19(17(20)16(18)10-11-23(2,21)22)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16H,10-12,18H2,1-2H3/t16-/m1/s1
InChIKeySOMNCVZPUSFETJ-MRXNPFEDSA-N
MW334.44 g/mol
LogP1.56
Rot. Bonds6

About (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide

(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide (PubChem CID 124596970) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
PubChem CID124596970
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide
SMILESCN(Cc1cccc2ccccc12)C(=O)[C@H](N)CCS(C)(=O)=O
InChIInChI=1S/C17H22N2O3S/c1-19(17(20)16(18)10-11-23(2,21)22)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16H,10-12,18H2,1-2H3/t16-/m1/s1
InChIKeySOMNCVZPUSFETJ-MRXNPFEDSA-N
XLogP1.56
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-benzothiophen-3-ylmethyl)-N-methyl-4-methylsulfonylbutanamide
CID 119956414
2-amino-N-methyl-N-(2-naphthalen-1-ylethyl)pentanamide
CID 119309088
2-amino-N-methyl-4-methylsulfonyl-N-[(3-methylthiophen-2-yl)methyl]butanamide
CID 54870095
2-amino-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-4-methylsulfonylbutanamide
CID 60937787
N-methyl-N-(naphthalen-1-ylmethyl)carbamoyl bromide
CID 115193849
2-amino-N-[(5-bromofuran-2-yl)methyl]-N-methyl-4-methylsulfonylbutanamide
CID 54873405
2-amino-3-[methyl(naphthalen-1-ylmethyl)amino]propanoic acid
CID 115240804
5-methylsulfonyl-1-naphthalen-1-ylpentan-2-one
CID 105084239
2-amino-N-[(2-fluorophenyl)methyl]-N-methylpentanamide
CID 43650342
2-amino-N-methyl-4-methylsulfonyl-N-(3-phenoxypropyl)butanamide;hydrochloride
CID 119956686
2-cyano-N-methyl-N-(naphthalen-1-ylmethyl)acetamide
CID 115173236
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide?
The IUPAC name of (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide (CID 124596970) is (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide is CN(Cc1cccc2ccccc12)C(=O)[C@H](N)CCS(C)(=O)=O.
What is the InChIKey of (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide?
The InChIKey is SOMNCVZPUSFETJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-19(17(20)16(18)10-11-23(2,21)22)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-9,16H,10-12,18H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide?
(2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide has a molecular weight of 334.44 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-4-methylsulfonyl-N-(naphthalen-1-ylmethyl)butanamide is sourced from PubChem (CID 124596970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).