7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide

C21H20N2OS — CID 174401378

IUPAC7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccsc3)c2c1
InChIInChI=1S/C21H20N2OS/c1-2-4-14-7-8-16-19(11-14)23(12-15-9-10-25-13-15)18-6-3-5-17(20(16)18)21(22)24/h3,5-11,13H,2,4,12H2,1H3,(H2,22,24)
InChIKeyKBHXXPZDTIVNDB-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.96
Rot. Bonds5

About 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide

7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide (PubChem CID 174401378) has the molecular formula C21H20N2OS and a molecular weight of 348.47 g/mol. Its IUPAC name is 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
PubChem CID174401378
Molecular FormulaC21H20N2OS
Molecular Weight348.47 g/mol
Exact Mass348.13
IUPAC Name7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide
SMILESCCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccsc3)c2c1
InChIInChI=1S/C21H20N2OS/c1-2-4-14-7-8-16-19(11-14)23(12-15-9-10-25-13-15)18-6-3-5-17(20(16)18)21(22)24/h3,5-11,13H,2,4,12H2,1H3,(H2,22,24)
InChIKeyKBHXXPZDTIVNDB-UHFFFAOYSA-N
XLogP4.96
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
9-[(2,5-dimethylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174440690
9-[(2-cyanophenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 175235910
9-[(2-methylsulfonylphenyl)methyl]-7-propylcarbazole-4-carboxamide
CID 174417821
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
9-[(3-carbamoylphenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174418283
9-[(4-cyanophenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417636
9-[(4-methylsulfonylphenyl)methyl]-7-pentylcarbazole-4-carboxamide
CID 174417959
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 174414518
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(3,5-dichlorophenyl)methyl]-7-ethylcarbazole-4-carboxamide
CID 174400697
7-ethyl-9-(pyridin-4-ylmethyl)carbazole-4-carboxamide
CID 174414362

Frequently Asked Questions

What is the IUPAC name of 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide?
The IUPAC name of 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide (CID 174401378) is 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide.
What is the SMILES notation for 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide?
The canonical SMILES for 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide is CCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccsc3)c2c1.
What is the InChIKey of 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide?
The InChIKey is KBHXXPZDTIVNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2OS/c1-2-4-14-7-8-16-19(11-14)23(12-15-9-10-25-13-15)18-6-3-5-17(20(16)18)21(22)24/h3,5-11,13H,2,4,12H2,1H3,(H2,22,24).
What are the key properties of 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide?
7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide has a molecular weight of 348.47 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-9-(thiophen-3-ylmethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174401378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).