2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide

C15H15Cl2NOS2 — CID 55689684

IUPAC2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl2NOS2/c16-12-8-10(14(17)21-12)15(19)18-13(9-4-1-2-5-9)11-6-3-7-20-11/h3,6-9,13H,1-2,4-5H2,(H,18,19)
InChIKeyRPZQSOGYCPXOMG-UHFFFAOYSA-N
MW360.33 g/mol
LogP5.78
Rot. Bonds4

About 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide

2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide (PubChem CID 55689684) has the molecular formula C15H15Cl2NOS2 and a molecular weight of 360.33 g/mol. Its IUPAC name is 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
PubChem CID55689684
Molecular FormulaC15H15Cl2NOS2
Molecular Weight360.33 g/mol
Exact Mass359.00
IUPAC Name2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H15Cl2NOS2/c16-12-8-10(14(17)21-12)15(19)18-13(9-4-1-2-5-9)11-6-3-7-20-11/h3,6-9,13H,1-2,4-5H2,(H,18,19)
InChIKeyRPZQSOGYCPXOMG-UHFFFAOYSA-N
XLogP5.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.33
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]pyridine-3-carboxamide
CID 81228997
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 80534165
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
3-chloro-N-[cyclopentyl(thiophen-2-yl)methyl]-1H-indole-2-carboxamide
CID 55961690
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912
2-(cyclopentylamino)-N-[cyclopentyl(thiophen-2-yl)methyl]acetamide
CID 60847966
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
N-[cyclopentyl(thiophen-2-yl)methyl]-2-methoxypropanamide
CID 47307968
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide (CID 55689684) is 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide is O=C(NC(c1cccs1)C1CCCC1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide?
The InChIKey is RPZQSOGYCPXOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NOS2/c16-12-8-10(14(17)21-12)15(19)18-13(9-4-1-2-5-9)11-6-3-7-20-11/h3,6-9,13H,1-2,4-5H2,(H,18,19).
What are the key properties of 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide has a molecular weight of 360.33 g/mol, XLogP of 5.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 55689684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).