6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide

C19H27N3O4S — CID 87562715

IUPAC6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide
SMILESCC(CCCCC(=O)NO)NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C19H27N3O4S/c1-14(8-4-5-13-19(23)20-24)21-27(25,26)18-12-7-9-15-16(18)10-6-11-17(15)22(2)3/h6-7,9-12,14,21,24H,4-5,8,13H2,1-3H3,(H,20,23)
InChIKeyYTNFDKSZPNRAEW-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.64
Rot. Bonds9

About 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide

6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide (PubChem CID 87562715) has the molecular formula C19H27N3O4S and a molecular weight of 393.51 g/mol. Its IUPAC name is 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide
PubChem CID87562715
Molecular FormulaC19H27N3O4S
Molecular Weight393.51 g/mol
Exact Mass393.17
IUPAC Name6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide
SMILESCC(CCCCC(=O)NO)NS(=O)(=O)c1cccc2c(N(C)C)cccc12
InChIInChI=1S/C19H27N3O4S/c1-14(8-4-5-13-19(23)20-24)21-27(25,26)18-12-7-9-15-16(18)10-6-11-17(15)22(2)3/h6-7,9-12,14,21,24H,4-5,8,13H2,1-3H3,(H,20,23)
InChIKeyYTNFDKSZPNRAEW-UHFFFAOYSA-N
XLogP2.64
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-6-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoate
CID 142152400
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoic acid
CID 14029644
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino](114C)propanoic acid
CID 10829820
diethyl 2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanedioate
CID 3860107
N'-[5-(dimethylamino)naphthalen-1-yl]sulfonyl-5-thiophen-2-ylpentanehydrazide
CID 3398109
(2R)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxy-3,3-ditritiopropanoic acid
CID 10759723
methyl (2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-hydroxypropanoate
CID 25041921
(2S)-N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanamide
CID 3080921
5-(dimethylamino)-N-(2-oxoethyl)naphthalene-1-sulfonamide
CID 18702175
(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]hexanamide
CID 102509107
(2S)-2-[[(2S)-4-carboxy-2-[[(2R)-2-[[(2S)-4-carboxy-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]butanoyl]amino]-3-sulfanylpropanoyl]amino]butanoyl]amino]pentanedioic acid
CID 101017269
6-amino-2-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]propanoylamino]hexanoic acid;1,3-dichloropropan-2-one
CID 21155424

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide?
The IUPAC name of 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide (CID 87562715) is 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide.
What is the SMILES notation for 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide?
The canonical SMILES for 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide is CC(CCCCC(=O)NO)NS(=O)(=O)c1cccc2c(N(C)C)cccc12.
What is the InChIKey of 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide?
The InChIKey is YTNFDKSZPNRAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4S/c1-14(8-4-5-13-19(23)20-24)21-27(25,26)18-12-7-9-15-16(18)10-6-11-17(15)22(2)3/h6-7,9-12,14,21,24H,4-5,8,13H2,1-3H3,(H,20,23).
What are the key properties of 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide?
6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide has a molecular weight of 393.51 g/mol, XLogP of 2.64, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-hydroxyheptanamide is sourced from PubChem (CID 87562715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).