5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

C17H18BrNO2S — CID 46441580

IUPAC5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCCO1
InChIInChI=1S/C17H18BrNO2S/c1-11(14-3-2-10-21-14)19-17(20)16-9-8-15(22-16)12-4-6-13(18)7-5-12/h4-9,11,14H,2-3,10H2,1H3,(H,19,20)
InChIKeyABRSQCOQAQEKCS-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.47
Rot. Bonds4

About 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide

5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 46441580) has the molecular formula C17H18BrNO2S and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID46441580
Molecular FormulaC17H18BrNO2S
Molecular Weight380.31 g/mol
Exact Mass379.02
IUPAC Name5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
SMILESCC(NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCCO1
InChIInChI=1S/C17H18BrNO2S/c1-11(14-3-2-10-21-14)19-17(20)16-9-8-15(22-16)12-4-6-13(18)7-5-12/h4-9,11,14H,2-3,10H2,1H3,(H,19,20)
InChIKeyABRSQCOQAQEKCS-UHFFFAOYSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
methyl 5-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]thiophene-2-carboxylate
CID 35252676
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652
2-(4-bromophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 40636423
N-[(1S)-1-cyclopropylethyl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 30796420
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]thiophene-3-carboxamide
CID 35235171
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2-(5-bromo-2-oxo-1-pyridinyl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35266239
6-bromo-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide
CID 6464465
5-(4-bromophenyl)-N-(2-hydroxypropyl)thiophene-2-carboxamide
CID 110889607
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 63660237

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide (CID 46441580) is 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is CC(NC(=O)c1ccc(-c2ccc(Br)cc2)s1)C1CCCO1.
What is the InChIKey of 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is ABRSQCOQAQEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2S/c1-11(14-3-2-10-21-14)19-17(20)16-9-8-15(22-16)12-4-6-13(18)7-5-12/h4-9,11,14H,2-3,10H2,1H3,(H,19,20).
What are the key properties of 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide?
5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 380.31 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[1-(oxolan-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 46441580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).