5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide

C12H16BrNOS — CID 62053997

IUPAC5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H16BrNOS/c1-14(7-9-4-2-3-5-9)12(15)10-6-11(13)16-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeySUCWPXDWDRMODU-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.77
Rot. Bonds3

About 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide

5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide (PubChem CID 62053997) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
PubChem CID62053997
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC Name5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1csc(Br)c1
InChIInChI=1S/C12H16BrNOS/c1-14(7-9-4-2-3-5-9)12(15)10-6-11(13)16-8-10/h6,8-9H,2-5,7H2,1H3
InChIKeySUCWPXDWDRMODU-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(cyclobutylmethyl)-N-methylthiophene-3-carboxamide
CID 62861189
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
5-bromo-N-methyl-N-(piperidin-3-ylmethyl)thiophene-3-carboxamide
CID 114021534
5-bromo-N-methyl-N-[(2-methylcyclopropyl)methyl]thiophene-3-carboxamide
CID 63866512
5-bromo-N-cyclohexyl-N-ethylthiophene-3-carboxamide
CID 43424613
5-bromo-N-methyl-N-(2-methylcyclohexyl)thiophene-3-carboxamide
CID 60735362
5-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylthiophene-3-carboxamide
CID 105418295
5-bromo-N-(4-ethylcyclohexyl)-N-methylthiophene-3-carboxamide
CID 60738324
5-bromo-N-(3-bromobutyl)-N-methylthiophene-3-carboxamide
CID 107966303
(5-bromothiophen-3-yl)-cyclohexylmethanone
CID 105076809
5-bromo-N-(cyclobutylmethyl)thiophene-3-carboxamide
CID 33383602
5-bromo-N-(cyclohexylmethyl)-N,4-dimethylthiophene-2-carboxamide
CID 79964366

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide (CID 62053997) is 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide is CN(CC1CCCC1)C(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide?
The InChIKey is SUCWPXDWDRMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c1-14(7-9-4-2-3-5-9)12(15)10-6-11(13)16-8-10/h6,8-9H,2-5,7H2,1H3.
What are the key properties of 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide?
5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopentylmethyl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 62053997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).