(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide

C17H22N2O4S — CID 122490832

IUPAC(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide
SMILESCOc1ccc2cc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)ccc2c1
InChIInChI=1S/C17H22N2O4S/c1-11(2)8-16(18)17(20)19-24(21,22)15-7-5-12-9-14(23-3)6-4-13(12)10-15/h4-7,9-11,16H,8,18H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyJNXCMUJZNSDMAL-INIZCTEOSA-N
MW350.44 g/mol
LogP2.03
Rot. Bonds6

About (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide

(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide (PubChem CID 122490832) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide
PubChem CID122490832
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Name(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide
SMILESCOc1ccc2cc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)ccc2c1
InChIInChI=1S/C17H22N2O4S/c1-11(2)8-16(18)17(20)19-24(21,22)15-7-5-12-9-14(23-3)6-4-13(12)10-15/h4-7,9-11,16H,8,18H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyJNXCMUJZNSDMAL-INIZCTEOSA-N
XLogP2.03
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3-(4-methoxyphenyl)benzamide
CID 164610189
2-amino-4-methyl-N-(4-phenylphenyl)sulfonylpentanamide
CID 145138135
(2S)-2-amino-4-methyl-N-[3-[(2-phenoxyacetyl)amino]phenyl]sulfonylpentanamide
CID 155559842
N-[3-[[(2S)-2-amino-4-methylpentanoyl]sulfamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 164618952
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-methylpentanamide
CID 81370961
(2S)-2-amino-N-(2,4-dimethoxyphenyl)-4-methylpentanamide
CID 22691067
(2S)-2-amino-N-[(E)-(6-methoxyquinolin-2-yl)methylideneamino]-4-methylpentanamide
CID 6889773
2-amino-N-(4-methoxy-2-nitrophenyl)-4-methylpentanamide
CID 43708269
(2R)-2-methoxy-N-(4-methoxyphenyl)sulfonylbutanamide
CID 94217640
N'-(4-methoxyphenyl)sulfonyloxamide
CID 68844028
(2R)-2-amino-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylpentanamide
CID 93359650
2-amino-N-[(3-methoxyphenyl)methyl]-4-methylpentanamide
CID 60873373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide?
The IUPAC name of (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide (CID 122490832) is (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide?
The canonical SMILES for (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide is COc1ccc2cc(S(=O)(=O)NC(=O)[C@@H](N)CC(C)C)ccc2c1.
What is the InChIKey of (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide?
The InChIKey is JNXCMUJZNSDMAL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-11(2)8-16(18)17(20)19-24(21,22)15-7-5-12-9-14(23-3)6-4-13(12)10-15/h4-7,9-11,16H,8,18H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide?
(2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide has a molecular weight of 350.44 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(6-methoxynaphthalen-2-yl)sulfonyl-4-methylpentanamide is sourced from PubChem (CID 122490832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).