2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide

C17H20BrN3O4S — CID 46206031

IUPAC2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide
SMILESCNC(=O)CCC(NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)NC
InChIInChI=1S/C17H20BrN3O4S/c1-19-16(22)10-8-14(17(23)20-2)21-26(24,25)15-9-7-13(18)11-5-3-4-6-12(11)15/h3-7,9,14,21H,8,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNYVWMGZINSXECJ-UHFFFAOYSA-N
MW442.34 g/mol
LogP1.52
Rot. Bonds7

About 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide

2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide (PubChem CID 46206031) has the molecular formula C17H20BrN3O4S and a molecular weight of 442.34 g/mol. Its IUPAC name is 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide.

Molecular Properties

Compound Name2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide
PubChem CID46206031
Molecular FormulaC17H20BrN3O4S
Molecular Weight442.34 g/mol
Exact Mass441.04
IUPAC Name2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide
SMILESCNC(=O)CCC(NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)NC
InChIInChI=1S/C17H20BrN3O4S/c1-19-16(22)10-8-14(17(23)20-2)21-26(24,25)15-9-7-13(18)11-5-3-4-6-12(11)15/h3-7,9,14,21H,8,10H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyNYVWMGZINSXECJ-UHFFFAOYSA-N
XLogP1.52
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloronaphthalen-1-yl)sulfonylamino]-N,N'-di(propan-2-yl)pentanediamide
CID 46205709
(2S)-2-(benzenesulfonamido)-5-(methylamino)-5-oxopentanoic acid
CID 131860438
4-bromo-N-(1-phenylethyl)naphthalene-1-sulfonamide
CID 91670104
4-bromo-N-[(1R)-1-phenylethyl]naphthalene-1-sulfonamide
CID 99798402
(2S)-2-[(4-bromophenyl)sulfonylamino]-N,N'-diphenylpentanediamide
CID 25197367
2-[(4-aminonaphthalen-1-yl)sulfonylamino]pentanedioic acid
CID 68818458
2-[(4-aminonaphthalen-1-yl)sulfonylamino]-4-methylpentanoic acid
CID 68798786
3-[(2-bromophenyl)sulfonyl-methylamino]-N,2-dimethylpropanamide
CID 103723773
2-(naphthalen-1-ylsulfonylamino)-N-(1-phenylethyl)pentanamide
CID 42703154
(2R)-2-(naphthalen-1-ylsulfonylamino)propanoic acid
CID 103862696
1-[(4-bromonaphthalen-1-yl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 142344597
(2R)-2-(methylamino)-N-(4-methylnaphthalen-1-yl)sulfonylpropanamide
CID 166291932

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide?
The IUPAC name of 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide (CID 46206031) is 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide.
What is the SMILES notation for 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide?
The canonical SMILES for 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide is CNC(=O)CCC(NS(=O)(=O)c1ccc(Br)c2ccccc12)C(=O)NC.
What is the InChIKey of 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide?
The InChIKey is NYVWMGZINSXECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O4S/c1-19-16(22)10-8-14(17(23)20-2)21-26(24,25)15-9-7-13(18)11-5-3-4-6-12(11)15/h3-7,9,14,21H,8,10H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide?
2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide has a molecular weight of 442.34 g/mol, XLogP of 1.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromonaphthalen-1-yl)sulfonylamino]-N,N'-dimethylpentanediamide is sourced from PubChem (CID 46206031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).