N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide

C17H22N2OS — CID 53191498

IUPACN-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2cn(C3CC3)cc2s1
InChIInChI=1S/C17H22N2OS/c20-17(18-13-5-3-1-2-4-6-13)15-9-12-10-19(14-7-8-14)11-16(12)21-15/h9-11,13-14H,1-8H2,(H,18,20)
InChIKeyOSJALXHRYLFXRL-UHFFFAOYSA-N
MW302.44 g/mol
LogP4.49
Rot. Bonds3

About N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide

N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 53191498) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
PubChem CID53191498
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
SMILESO=C(NC1CCCCCC1)c1cc2cn(C3CC3)cc2s1
InChIInChI=1S/C17H22N2OS/c20-17(18-13-5-3-1-2-4-6-13)15-9-12-10-19(14-7-8-14)11-16(12)21-15/h9-11,13-14H,1-8H2,(H,18,20)
InChIKeyOSJALXHRYLFXRL-UHFFFAOYSA-N
XLogP4.49
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-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

Related Compounds

5-cyclopropyl-N-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191479
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191585
5-cyclopentyl-N-(3-piperidin-1-ylpropyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 87054473
5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054452
5-cyclopentyl-N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 53191656
5-cyclopropyl-N-(2-morpholin-4-ylethyl)thieno[2,3-c]pyrrole-2-carboxamide
CID 53191518
5-cyclopentyl-N-[2-(N-ethylanilino)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
CID 87054471
(5-cyclopropylthieno[2,3-c]pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 53191471
N-cycloheptyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 7996122
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
(5-cyclopentylthieno[2,3-c]pyrrol-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 53191630
N-cyclohexyl-1-oxoisothiochromene-3-carboxamide
CID 20896749

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide (CID 53191498) is N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide is O=C(NC1CCCCCC1)c1cc2cn(C3CC3)cc2s1.
What is the InChIKey of N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
The InChIKey is OSJALXHRYLFXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c20-17(18-13-5-3-1-2-4-6-13)15-9-12-10-19(14-7-8-14)11-16(12)21-15/h9-11,13-14H,1-8H2,(H,18,20).
What are the key properties of N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide?
N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-cyclopropylthieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 53191498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).