4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide

C20H23NO5S — CID 97338344

IUPAC4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1COC2(CCOCC2)O1)c1ccc(OCc2cccs2)cc1
InChIInChI=1S/C20H23NO5S/c22-19(21-12-17-13-25-20(26-17)7-9-23-10-8-20)15-3-5-16(6-4-15)24-14-18-2-1-11-27-18/h1-6,11,17H,7-10,12-14H2,(H,21,22)/t17-/m0/s1
InChIKeyCCQLWWNCRDXJNY-KRWDZBQOSA-N
MW389.47 g/mol
LogP2.98
Rot. Bonds6

About 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide

4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide (PubChem CID 97338344) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide
PubChem CID97338344
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide
SMILESO=C(NC[C@H]1COC2(CCOCC2)O1)c1ccc(OCc2cccs2)cc1
InChIInChI=1S/C20H23NO5S/c22-19(21-12-17-13-25-20(26-17)7-9-23-10-8-20)15-3-5-16(6-4-15)24-14-18-2-1-11-27-18/h1-6,11,17H,7-10,12-14H2,(H,21,22)/t17-/m0/s1
InChIKeyCCQLWWNCRDXJNY-KRWDZBQOSA-N
XLogP2.98
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide?
The IUPAC name of 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide (CID 97338344) is 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide.
What is the SMILES notation for 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide?
The canonical SMILES for 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide is O=C(NC[C@H]1COC2(CCOCC2)O1)c1ccc(OCc2cccs2)cc1.
What is the InChIKey of 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide?
The InChIKey is CCQLWWNCRDXJNY-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO5S/c22-19(21-12-17-13-25-20(26-17)7-9-23-10-8-20)15-3-5-16(6-4-15)24-14-18-2-1-11-27-18/h1-6,11,17H,7-10,12-14H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide?
4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide has a molecular weight of 389.47 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethoxy)-N-[[(3S)-1,4,8-trioxaspiro[4.5]decan-3-yl]methyl]benzamide is sourced from PubChem (CID 97338344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).