2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene

C22H23NS — CID 145407652

IUPAC2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene
SMILESC=CC.C=Cc1sc2cc(Nc3ccccc3)ccc2c1/C=C\C
InChIInChI=1S/C19H17NS.C3H6/c1-3-8-16-17-12-11-15(13-19(17)21-18(16)4-2)20-14-9-6-5-7-10-14;1-3-2/h3-13,20H,2H2,1H3;3H,1H2,2H3/b8-3-;
InChIKeyHZCILIFMXRAVLH-NGRDVXTNSA-N
MW333.50 g/mol
LogP7.51
Rot. Bonds4

About 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene

2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene (PubChem CID 145407652) has the molecular formula C22H23NS and a molecular weight of 333.50 g/mol. Its IUPAC name is 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene.

Molecular Properties

Compound Name2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene
PubChem CID145407652
Molecular FormulaC22H23NS
Molecular Weight333.50 g/mol
Exact Mass333.16
IUPAC Name2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene
SMILESC=CC.C=Cc1sc2cc(Nc3ccccc3)ccc2c1/C=C\C
InChIInChI=1S/C19H17NS.C3H6/c1-3-8-16-17-12-11-15(13-19(17)21-18(16)4-2)20-14-9-6-5-7-10-14;1-3-2/h3-13,20H,2H2,1H3;3H,1H2,2H3/b8-3-;
InChIKeyHZCILIFMXRAVLH-NGRDVXTNSA-N
XLogP7.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.50
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-N-[7-[[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-naphthalen-1-ylamino]dibenzothiophen-3-yl]-7-N-naphthalen-1-yl-3-N,7-N-diphenyldibenzothiophene-3,7-diamine
CID 167295274
ethane;6-methyl-N-phenyl-5-[(Z)-prop-1-enyl]naphthalen-2-amine
CID 145232526
CID 153374236
CID 153374236
N-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-ethenyl-N-(4-phenylphenyl)-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine
CID 142481355
N-(4-methylphenyl)-[1]benzothiolo[2,3-b]pyridin-7-amine;prop-1-ene
CID 145407808
ethene;2-methyl-N,1-diphenyl-3-[(Z)-prop-1-enyl]indol-5-amine
CID 143402088
1-[10-[2-[4-[10-dibenzothiophen-2-yl-9-[2-[4-[10-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]-9-(2-phenylphenyl)anthracen-2-yl]phenyl]phenyl]anthracen-2-yl]phenyl]phenyl]anthracen-9-yl]dibenzothiophene
CID 146539717
4-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]-N-phenylaniline
CID 143438004
4-dibenzothiophen-2-yl-N,N-dimethylaniline;ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 145067584
4-ethenyl-N-phenylaniline
CID 21478062
24-ethenyl-23-[(Z)-prop-1-enyl]-25-thia-4-azaoctacyclo[14.12.1.117,21.03,11.05,10.012,29.022,26.028,30]triaconta-1,3(11),5,7,9,12,14,16(29),17(30),18,20,22(26),23,27-tetradecaene
CID 144681307
2-[3-[5-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-yl]triphenylen-2-yl]phenyl]-1-phenylethanamine;methanimine;toluene
CID 145452824

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene?
The IUPAC name of 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene (CID 145407652) is 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene.
What is the SMILES notation for 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene?
The canonical SMILES for 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene is C=CC.C=Cc1sc2cc(Nc3ccccc3)ccc2c1/C=C\C.
What is the InChIKey of 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene?
The InChIKey is HZCILIFMXRAVLH-NGRDVXTNSA-N. The full InChI is InChI=1S/C19H17NS.C3H6/c1-3-8-16-17-12-11-15(13-19(17)21-18(16)4-2)20-14-9-6-5-7-10-14;1-3-2/h3-13,20H,2H2,1H3;3H,1H2,2H3/b8-3-;.
What are the key properties of 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene?
2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene has a molecular weight of 333.50 g/mol, XLogP of 7.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-phenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-6-amine;prop-1-ene is sourced from PubChem (CID 145407652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).