3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide

C14H20BrNOS — CID 113223704

IUPAC3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(C(=O)c1sccc1Br)C1CCCC1
InChIInChI=1S/C14H20BrNOS/c1-10(2)9-16(11-5-3-4-6-11)14(17)13-12(15)7-8-18-13/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyBEKPQFXNJWNUHE-UHFFFAOYSA-N
MW330.29 g/mol
LogP4.55
Rot. Bonds4

About 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide

3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 113223704) has the molecular formula C14H20BrNOS and a molecular weight of 330.29 g/mol. Its IUPAC name is 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID113223704
Molecular FormulaC14H20BrNOS
Molecular Weight330.29 g/mol
Exact Mass329.04
IUPAC Name3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCC(C)CN(C(=O)c1sccc1Br)C1CCCC1
InChIInChI=1S/C14H20BrNOS/c1-10(2)9-16(11-5-3-4-6-11)14(17)13-12(15)7-8-18-13/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyBEKPQFXNJWNUHE-UHFFFAOYSA-N
XLogP4.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63797804
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CID 60619670
3-bromo-N-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 60778340
5-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 113221746
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CID 112725800
2-bromo-N-cyclopentyl-N-(2-methylpropyl)-5-sulfanylbenzamide
CID 107032458
2-bromo-N-cyclopentyl-6-fluoro-N-(2-methylpropyl)benzamide
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3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
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3-bromo-N-methyl-N-(3-methylcyclohexyl)thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide (CID 113223704) is 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide is CC(C)CN(C(=O)c1sccc1Br)C1CCCC1.
What is the InChIKey of 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is BEKPQFXNJWNUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNOS/c1-10(2)9-16(11-5-3-4-6-11)14(17)13-12(15)7-8-18-13/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide?
3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 330.29 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopentyl-N-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 113223704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).