9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide

C25H27NO2S — CID 20877782

IUPAC9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1c(C)cccc1OC2)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H27NO2S/c1-5-13-26(20-11-9-18(10-12-20)16(2)3)25(27)22-14-19-15-28-21-8-6-7-17(4)23(21)24(19)29-22/h6-12,14,16H,5,13,15H2,1-4H3
InChIKeyHUGMCTDUKRCJHM-UHFFFAOYSA-N
MW405.56 g/mol
LogP6.80
Rot. Bonds5

About 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide

9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide (PubChem CID 20877782) has the molecular formula C25H27NO2S and a molecular weight of 405.56 g/mol. Its IUPAC name is 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
PubChem CID20877782
Molecular FormulaC25H27NO2S
Molecular Weight405.56 g/mol
Exact Mass405.18
IUPAC Name9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide
SMILESCCCN(C(=O)c1cc2c(s1)-c1c(C)cccc1OC2)c1ccc(C(C)C)cc1
InChIInChI=1S/C25H27NO2S/c1-5-13-26(20-11-9-18(10-12-20)16(2)3)25(27)22-14-19-15-28-21-8-6-7-17(4)23(21)24(19)29-22/h6-12,14,16H,5,13,15H2,1-4H3
InChIKeyHUGMCTDUKRCJHM-UHFFFAOYSA-N
XLogP6.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.56
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide 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 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The IUPAC name of 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide (CID 20877782) is 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide is CCCN(C(=O)c1cc2c(s1)-c1c(C)cccc1OC2)c1ccc(C(C)C)cc1.
What is the InChIKey of 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
The InChIKey is HUGMCTDUKRCJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO2S/c1-5-13-26(20-11-9-18(10-12-20)16(2)3)25(27)22-14-19-15-28-21-8-6-7-17(4)23(21)24(19)29-22/h6-12,14,16H,5,13,15H2,1-4H3.
What are the key properties of 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide?
9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide has a molecular weight of 405.56 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-(4-propan-2-ylphenyl)-N-propyl-4H-thieno[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 20877782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).