4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide

C15H15Br2NOS2 — CID 80534165

IUPAC4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NOS2/c16-10-8-12(21-14(10)17)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)
InChIKeyYVBICPFRFHJKFW-UHFFFAOYSA-N
MW449.23 g/mol
LogP6.00
Rot. Bonds4

About 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 80534165) has the molecular formula C15H15Br2NOS2 and a molecular weight of 449.23 g/mol. Its IUPAC name is 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
PubChem CID80534165
Molecular FormulaC15H15Br2NOS2
Molecular Weight449.23 g/mol
Exact Mass446.90
IUPAC Name4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(NC(c1cccs1)C1CCCC1)c1cc(Br)c(Br)s1
InChIInChI=1S/C15H15Br2NOS2/c16-10-8-12(21-14(10)17)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)
InChIKeyYVBICPFRFHJKFW-UHFFFAOYSA-N
XLogP6.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.23
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide
CID 39032304
4,5-dibromo-N-[cyclopropyl(phenyl)methyl]thiophene-2-carboxamide
CID 112723097
2,5-dichloro-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-3-carboxamide
CID 55689684
1-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methylurea
CID 94152755
N-[(2S)-1-[[(S)-cyclopentyl(thiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 39612740
N-[cyclopentyl(thiophen-2-yl)methyl]-3-iodobenzamide
CID 63524576
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 39032515
4-(carbamoylamino)-N-[(S)-cyclopentyl(thiophen-2-yl)methyl]benzamide
CID 51943755
N-[2-[[cyclopentyl(thiophen-2-yl)methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42960858
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 39612382
N-[cyclopentyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 43697912

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide (CID 80534165) is 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide is O=C(NC(c1cccs1)C1CCCC1)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YVBICPFRFHJKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br2NOS2/c16-10-8-12(21-14(10)17)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 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 449.23 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[cyclopentyl(thiophen-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 80534165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).