7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide

C25H29N3O4S — CID 142976542

IUPAC7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCN(c1ccc2[nH]ccc2c1)S(=O)(=O)C1=CCCc2ccccc21)NO
InChIInChI=1S/C25H29N3O4S/c29-25(27-30)12-3-1-2-6-17-28(21-13-14-23-20(18-21)15-16-26-23)33(31,32)24-11-7-9-19-8-4-5-10-22(19)24/h4-5,8,10-11,13-16,18,26,30H,1-3,6-7,9,12,17H2,(H,27,29)
InChIKeyUVWMWNZHCRSPCY-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.75
Rot. Bonds10

About 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide

7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide (PubChem CID 142976542) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide
PubChem CID142976542
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC Name7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCN(c1ccc2[nH]ccc2c1)S(=O)(=O)C1=CCCc2ccccc21)NO
InChIInChI=1S/C25H29N3O4S/c29-25(27-30)12-3-1-2-6-17-28(21-13-14-23-20(18-21)15-16-26-23)33(31,32)24-11-7-9-19-8-4-5-10-22(19)24/h4-5,8,10-11,13-16,18,26,30H,1-3,6-7,9,12,17H2,(H,27,29)
InChIKeyUVWMWNZHCRSPCY-UHFFFAOYSA-N
XLogP4.75
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

7-[(4-chlorophenyl)carbamoyl-(1H-indol-5-yl)amino]-N-hydroxyheptanamide
CID 142976522
4-ethyl-N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-5-yl)phenyl]piperazine-1-carboxamide
CID 87113730
N-hydroxy-7-[[2-[4-(1H-indol-6-yl)phenyl]phenyl]sulfonylamino]heptanamide
CID 87113790
7-[N-ethyl-4-(1H-indol-6-yl)anilino]-N-hydroxyheptanamide
CID 58074271
7-[formyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide;(E)-N-methylbut-2-en-2-amine;prop-2-enylbenzene
CID 142976499
7-(N-(3-bromophenyl)sulfonyl-4-methoxyanilino)-N-hydroxyheptanamide
CID 142976543
7-[4-(1-benzofuran-2-yl)-N-thiophen-2-ylsulfonylanilino]-N-hydroxyheptanamide
CID 11329486
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]furan-2-carboxamide
CID 58074304
N-hydroxy-7-[N-thiophen-2-ylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]heptanamide
CID 142976524
2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate
CID 152669052
N-hydroxy-7-[4-(4-propan-2-ylphenyl)-N-thiophen-2-ylsulfonylanilino]heptanamide
CID 142976535
N-[7-(hydroxyamino)-7-oxoheptyl]-N-[4-(1H-indol-6-yl)phenyl]pyrrolidine-2-carboxamide
CID 58074272

Frequently Asked Questions

What is the IUPAC name of 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide (CID 142976542) is 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide is O=C(CCCCCCN(c1ccc2[nH]ccc2c1)S(=O)(=O)C1=CCCc2ccccc21)NO.
What is the InChIKey of 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide?
The InChIKey is UVWMWNZHCRSPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c29-25(27-30)12-3-1-2-6-17-28(21-13-14-23-20(18-21)15-16-26-23)33(31,32)24-11-7-9-19-8-4-5-10-22(19)24/h4-5,8,10-11,13-16,18,26,30H,1-3,6-7,9,12,17H2,(H,27,29).
What are the key properties of 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide?
7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide has a molecular weight of 467.59 g/mol, XLogP of 4.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3,4-dihydronaphthalen-1-ylsulfonyl(1H-indol-5-yl)amino]-N-hydroxyheptanamide is sourced from PubChem (CID 142976542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).