2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

C18H26ClN3OS — CID 122175883

IUPAC2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cc3sc(Cl)cc3n2C)C1
InChIInChI=1S/C18H26ClN3OS/c1-12-7-13(2)11-22(10-12)6-4-5-20-18(23)15-8-16-14(21(15)3)9-17(19)24-16/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,23)
InChIKeyRRVMTIBNVWOIPH-UHFFFAOYSA-N
MW367.95 g/mol
LogP3.99
Rot. Bonds5

About 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide

2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 122175883) has the molecular formula C18H26ClN3OS and a molecular weight of 367.95 g/mol. Its IUPAC name is 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID122175883
Molecular FormulaC18H26ClN3OS
Molecular Weight367.95 g/mol
Exact Mass367.15
IUPAC Name2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCC1CC(C)CN(CCCNC(=O)c2cc3sc(Cl)cc3n2C)C1
InChIInChI=1S/C18H26ClN3OS/c1-12-7-13(2)11-22(10-12)6-4-5-20-18(23)15-8-16-14(21(15)3)9-17(19)24-16/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,23)
InChIKeyRRVMTIBNVWOIPH-UHFFFAOYSA-N
XLogP3.99
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.95
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-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

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 122175911
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865258
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 55742136
2-chloro-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-ethylthieno[3,2-b]pyrrole-5-carboxamide
CID 20877211
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]acetamide
CID 70842274
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 20883572
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-4-carboxamide
CID 92667716
4-(dimethylamino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]benzamide
CID 55735171
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55735264
2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
CID 47038122
3-(4-chlorophenyl)-N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 92662168

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 122175883) is 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is CC1CC(C)CN(CCCNC(=O)c2cc3sc(Cl)cc3n2C)C1.
What is the InChIKey of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is RRVMTIBNVWOIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3OS/c1-12-7-13(2)11-22(10-12)6-4-5-20-18(23)15-8-16-14(21(15)3)9-17(19)24-16/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,20,23).
What are the key properties of 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 367.95 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 122175883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).