5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide

C20H19BrN2OS — CID 171352035

IUPAC5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1)c1ccc(Br)s1
InChIInChI=1S/C20H19BrN2OS/c21-19-8-7-18(25-19)20(24)22-17-9-10-23(13-17)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyKUPNFPMWPOCEBU-QGZVFWFLSA-N
MW415.36 g/mol
LogP4.67
Rot. Bonds4

About 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide

5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide (PubChem CID 171352035) has the molecular formula C20H19BrN2OS and a molecular weight of 415.36 g/mol. Its IUPAC name is 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
PubChem CID171352035
Molecular FormulaC20H19BrN2OS
Molecular Weight415.36 g/mol
Exact Mass414.04
IUPAC Name5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide
SMILESO=C(N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1)c1ccc(Br)s1
InChIInChI=1S/C20H19BrN2OS/c21-19-8-7-18(25-19)20(24)22-17-9-10-23(13-17)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-/m1/s1
InChIKeyKUPNFPMWPOCEBU-QGZVFWFLSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-5-methylsulfanylthiophene-2-carboxamide
CID 3811032
5-bromo-N-(1-propylpiperidin-4-yl)thiophene-2-carboxamide
CID 17249869
2-(bromomethyl)naphthalene;N-[[1-(naphthalen-2-ylmethyl)piperidin-4-yl]carbamoyl]benzamide
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N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
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N-(1-benzylpyrrolidin-3-yl)-2-bromofuran-3-carboxamide
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N-(1-benzylpyrrolidin-3-yl)-2-bromo-5-fluorobenzamide
CID 18156414
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
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N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromothiophene-2-carboxamide
CID 22350665
2-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]ethylcarbamic acid
CID 68849796
N-[(3S)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]cyclohexanimine
CID 10804615
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-morpholin-4-yl-4-phenylthiophene-2-carboxamide
CID 41200888
N-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 164635055

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide (CID 171352035) is 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide is O=C(N[C@@H]1CCN(Cc2ccc3ccccc3c2)C1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
The InChIKey is KUPNFPMWPOCEBU-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19BrN2OS/c21-19-8-7-18(25-19)20(24)22-17-9-10-23(13-17)12-14-5-6-15-3-1-2-4-16(15)11-14/h1-8,11,17H,9-10,12-13H2,(H,22,24)/t17-/m1/s1.
What are the key properties of 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide?
5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide has a molecular weight of 415.36 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3R)-1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 171352035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).