8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide

C24H27N3O2S — CID 70126088

IUPAC8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cccc(Sc3ccccc3C(=O)NCCCN(C)C)c12
InChIInChI=1S/C24H27N3O2S/c1-25-23(28)19-12-6-9-17-10-7-14-21(22(17)19)30-20-13-5-4-11-18(20)24(29)26-15-8-16-27(2)3/h4-7,9-14H,8,15-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAXEZLZNVMNDJJJ-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.03
Rot. Bonds8

About 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide

8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide (PubChem CID 70126088) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide
PubChem CID70126088
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide
SMILESCNC(=O)c1cccc2cccc(Sc3ccccc3C(=O)NCCCN(C)C)c12
InChIInChI=1S/C24H27N3O2S/c1-25-23(28)19-12-6-9-17-10-7-14-21(22(17)19)30-20-13-5-4-11-18(20)24(29)26-15-8-16-27(2)3/h4-7,9-14H,8,15-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyAXEZLZNVMNDJJJ-UHFFFAOYSA-N
XLogP4.03
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-[2-(methylcarbamoyl)phenyl]sulfanylnaphthalene-1-carboxylate
CID 6928280
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
N-[3-(dimethylamino)propyl]-2-isocyanatobenzamide
CID 169353387
2-hydroxy-3-N-[5-[[2-hydroxy-3-(methylcarbamoyl)benzoyl]amino]pentyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 102039466
N-[3-(dimethylamino)propyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide
CID 78781057
N-[3-[benzyl(methyl)amino]propyl]-2-methylsulfanylbenzamide
CID 17474341
2-amino-3-bromo-N-[4-(dimethylamino)butyl]benzamide
CID 110451091
2-chloro-N-[3-(dimethylamino)propyl]-3-nitrobenzamide
CID 19779109
N-[3-(dimethylamino)propyl]-2-propylsulfonylbenzamide
CID 17224742
2-[(2-cyanoacetyl)amino]-N-[3-(dimethylamino)propyl]benzamide
CID 168521609
2-N-[3-(dimethylamino)propyl]-6-N-(3-methylbutyl)pyridine-2,6-dicarboxamide
CID 109096551
N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide
CID 71702177

Frequently Asked Questions

What is the IUPAC name of 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide?
The IUPAC name of 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide (CID 70126088) is 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide.
What is the SMILES notation for 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide?
The canonical SMILES for 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide is CNC(=O)c1cccc2cccc(Sc3ccccc3C(=O)NCCCN(C)C)c12.
What is the InChIKey of 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide?
The InChIKey is AXEZLZNVMNDJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-25-23(28)19-12-6-9-17-10-7-14-21(22(17)19)30-20-13-5-4-11-18(20)24(29)26-15-8-16-27(2)3/h4-7,9-14H,8,15-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide?
8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide has a molecular weight of 421.57 g/mol, XLogP of 4.03, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[3-(dimethylamino)propylcarbamoyl]phenyl]sulfanyl-N-methylnaphthalene-1-carboxamide is sourced from PubChem (CID 70126088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).