N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

C19H21N3O2S — CID 158332853

IUPACN-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCOc1cc(-c2ccc3c(c2CC(=O)NCC(N)=S)CCC3)ccn1
InChIInChI=1S/C19H21N3O2S/c1-24-19-9-13(7-8-21-19)15-6-5-12-3-2-4-14(12)16(15)10-18(23)22-11-17(20)25/h5-9H,2-4,10-11H2,1H3,(H2,20,25)(H,22,23)
InChIKeyPQQDJIBPYANIJK-UHFFFAOYSA-N
MW355.46 g/mol
LogP2.19
Rot. Bonds6

About N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide

N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (PubChem CID 158332853) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
PubChem CID158332853
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
SMILESCOc1cc(-c2ccc3c(c2CC(=O)NCC(N)=S)CCC3)ccn1
InChIInChI=1S/C19H21N3O2S/c1-24-19-9-13(7-8-21-19)15-6-5-12-3-2-4-14(12)16(15)10-18(23)22-11-17(20)25/h5-9H,2-4,10-11H2,1H3,(H2,20,25)(H,22,23)
InChIKeyPQQDJIBPYANIJK-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]amino]methylidenethiourea
CID 153357045
N-[1-cyclopropyl-5-(3-methoxyoxetan-3-yl)pyrazol-3-yl]sulfonyl-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 153119315
N-ethyl-5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-amine
CID 155744646
ethyl N'-carbamothioyl-N-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]carbamimidothioate
CID 150985488
5-[[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]methyl]-1H-1,2,4-triazole-3-sulfonyl chloride
CID 153357072
tert-butyl 2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetate;tert-butyl 2-(5-methyl-2,3-dihydro-1H-inden-4-yl)acetate;2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 158731242
2-[5-(2-carbamoyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetic acid;2,2,2-trifluoroacetic acid
CID 175839307
3-(2-methoxy-4-pyridinyl)bicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 165370393
3-(azetidin-3-ylsulfonyl)-1-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]-1-propan-2-ylurea
CID 155613838
ethane;[5-[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]-2,3-dihydro-1H-inden-4-yl]urea
CID 153403891
2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
CID 153357282
N-[5-[1-(dimethylamino)ethyl]-1-methylpyrazol-3-yl]sulfonyl-2-[5-(2-methyl-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide
CID 158980274

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide (CID 158332853) is N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is COc1cc(-c2ccc3c(c2CC(=O)NCC(N)=S)CCC3)ccn1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
The InChIKey is PQQDJIBPYANIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-24-19-9-13(7-8-21-19)15-6-5-12-3-2-4-14(12)16(15)10-18(23)22-11-17(20)25/h5-9H,2-4,10-11H2,1H3,(H2,20,25)(H,22,23).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide?
N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-[5-(2-methoxy-4-pyridinyl)-2,3-dihydro-1H-inden-4-yl]acetamide is sourced from PubChem (CID 158332853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).