N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline

C23H25NS — CID 166788677

IUPACN-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline
SMILESC/C=C\c1c(/C=C\CN(c2ccccc2)C(C)C)sc2ccccc12
InChIInChI=1S/C23H25NS/c1-4-11-20-21-14-8-9-15-22(21)25-23(20)16-10-17-24(18(2)3)19-12-6-5-7-13-19/h4-16,18H,17H2,1-3H3/b11-4-,16-10-
InChIKeyXDAMEDKBRRBNRR-UYEDWJIDSA-N
MW347.53 g/mol
LogP6.86
Rot. Bonds6

About N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline

N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline (PubChem CID 166788677) has the molecular formula C23H25NS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline.

Molecular Properties

Compound NameN-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline
PubChem CID166788677
Molecular FormulaC23H25NS
Molecular Weight347.53 g/mol
Exact Mass347.17
IUPAC NameN-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline
SMILESC/C=C\c1c(/C=C\CN(c2ccccc2)C(C)C)sc2ccccc12
InChIInChI=1S/C23H25NS/c1-4-11-20-21-14-8-9-15-22(21)25-23(20)16-10-17-24(18(2)3)19-12-6-5-7-13-19/h4-16,18H,17H2,1-3H3/b11-4-,16-10-
InChIKeyXDAMEDKBRRBNRR-UYEDWJIDSA-N
XLogP6.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.53
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline?
The IUPAC name of N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline (CID 166788677) is N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline.
What is the SMILES notation for N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline?
The canonical SMILES for N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline is C/C=C\c1c(/C=C\CN(c2ccccc2)C(C)C)sc2ccccc12.
What is the InChIKey of N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline?
The InChIKey is XDAMEDKBRRBNRR-UYEDWJIDSA-N. The full InChI is InChI=1S/C23H25NS/c1-4-11-20-21-14-8-9-15-22(21)25-23(20)16-10-17-24(18(2)3)19-12-6-5-7-13-19/h4-16,18H,17H2,1-3H3/b11-4-,16-10-.
What are the key properties of N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline?
N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline has a molecular weight of 347.53 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-[(Z)-3-[3-[(Z)-prop-1-enyl]-1-benzothiophen-2-yl]prop-2-enyl]aniline is sourced from PubChem (CID 166788677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).