ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine

C23H37N3O2S — CID 142533227

IUPACethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine
SMILESCC.CC(Cc1ccsc1)NC(=O)NCC1CCc2cc(O)ccc2C1.CNC
InChIInChI=1S/C19H24N2O2S.C2H7N.C2H6/c1-13(8-15-6-7-24-12-15)21-19(23)20-11-14-2-3-17-10-18(22)5-4-16(17)9-14;1-3-2;1-2/h4-7,10,12-14,22H,2-3,8-9,11H2,1H3,(H2,20,21,23);3H,1-2H3;1-2H3
InChIKeyJLXKXNDMJLXVST-UHFFFAOYSA-N
MW419.64 g/mol
LogP4.35
Rot. Bonds5

About ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine

ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine (PubChem CID 142533227) has the molecular formula C23H37N3O2S and a molecular weight of 419.64 g/mol. Its IUPAC name is ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine
PubChem CID142533227
Molecular FormulaC23H37N3O2S
Molecular Weight419.64 g/mol
Exact Mass419.26
IUPAC Nameethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine
SMILESCC.CC(Cc1ccsc1)NC(=O)NCC1CCc2cc(O)ccc2C1.CNC
InChIInChI=1S/C19H24N2O2S.C2H7N.C2H6/c1-13(8-15-6-7-24-12-15)21-19(23)20-11-14-2-3-17-10-18(22)5-4-16(17)9-14;1-3-2;1-2/h4-7,10,12-14,22H,2-3,8-9,11H2,1H3,(H2,20,21,23);3H,1-2H3;1-2H3
InChIKeyJLXKXNDMJLXVST-UHFFFAOYSA-N
XLogP4.35
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.64
LogP ≤ 54.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine?
The IUPAC name of ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine (CID 142533227) is ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine.
What is the SMILES notation for ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine?
The canonical SMILES for ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine is CC.CC(Cc1ccsc1)NC(=O)NCC1CCc2cc(O)ccc2C1.CNC.
What is the InChIKey of ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine?
The InChIKey is JLXKXNDMJLXVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S.C2H7N.C2H6/c1-13(8-15-6-7-24-12-15)21-19(23)20-11-14-2-3-17-10-18(22)5-4-16(17)9-14;1-3-2;1-2/h4-7,10,12-14,22H,2-3,8-9,11H2,1H3,(H2,20,21,23);3H,1-2H3;1-2H3.
What are the key properties of ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine?
ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine has a molecular weight of 419.64 g/mol, XLogP of 4.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(6-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-3-(1-thiophen-3-ylpropan-2-yl)urea;N-methylmethanamine is sourced from PubChem (CID 142533227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).