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

C16H19ClN2OS — CID 122175911

IUPAC2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21
InChIInChI=1S/C16H19ClN2OS/c1-19-12-10-15(17)21-14(12)9-13(19)16(20)18-8-7-11-5-3-2-4-6-11/h5,9-10H,2-4,6-8H2,1H3,(H,18,20)
InChIKeyXUGPMQPRXLTRRR-UHFFFAOYSA-N
MW322.86 g/mol
LogP4.51
Rot. Bonds4

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

2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (PubChem CID 122175911) has the molecular formula C16H19ClN2OS and a molecular weight of 322.86 g/mol. Its IUPAC name is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
PubChem CID122175911
Molecular FormulaC16H19ClN2OS
Molecular Weight322.86 g/mol
Exact Mass322.09
IUPAC Name2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
SMILESCn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21
InChIInChI=1S/C16H19ClN2OS/c1-19-12-10-15(17)21-14(12)9-13(19)16(20)18-8-7-11-5-3-2-4-6-11/h5,9-10H,2-4,6-8H2,1H3,(H,18,20)
InChIKeyXUGPMQPRXLTRRR-UHFFFAOYSA-N
XLogP4.51
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17457035
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CID 3498774
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835962
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CID 110849180
3-chloro-N-[2-(cyclohexen-1-yl)ethyl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 675725
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766470
N-[2-(cyclohexen-1-yl)ethyl]-1-(4-methylthieno[3,2-b]pyrrole-5-carbonyl)piperidine-3-carboxamide
CID 122176166
2,6-dichloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 874393
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]benzamide
CID 835623
5-chloro-N-[2-(cyclohexen-1-yl)ethyl]furan-2-carboxamide
CID 29413921
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide (CID 122175911) is 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is Cn1c(C(=O)NCCC2=CCCCC2)cc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
The InChIKey is XUGPMQPRXLTRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2OS/c1-19-12-10-15(17)21-14(12)9-13(19)16(20)18-8-7-11-5-3-2-4-6-11/h5,9-10H,2-4,6-8H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide?
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide has a molecular weight of 322.86 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(cyclohexen-1-yl)ethyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 122175911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).