5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide

C17H20BrNOS — CID 63525114

IUPAC5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C17H20BrNOS/c1-11(2)8-13-4-6-14(7-5-13)12(3)19-17(20)15-9-16(18)21-10-15/h4-7,9-12H,8H2,1-3H3,(H,19,20)
InChIKeyXSOFVIZNFZXSDW-UHFFFAOYSA-N
MW366.32 g/mol
LogP5.20
Rot. Bonds5

About 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide

5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide (PubChem CID 63525114) has the molecular formula C17H20BrNOS and a molecular weight of 366.32 g/mol. Its IUPAC name is 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
PubChem CID63525114
Molecular FormulaC17H20BrNOS
Molecular Weight366.32 g/mol
Exact Mass365.04
IUPAC Name5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide
SMILESCC(C)Cc1ccc(C(C)NC(=O)c2csc(Br)c2)cc1
InChIInChI=1S/C17H20BrNOS/c1-11(2)8-13-4-6-14(7-5-13)12(3)19-17(20)15-9-16(18)21-10-15/h4-7,9-12H,8H2,1-3H3,(H,19,20)
InChIKeyXSOFVIZNFZXSDW-UHFFFAOYSA-N
XLogP5.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-bromophenyl)ethyl]thiophene-3-carboxamide
CID 47159789
N-[1-(4-aminophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 114020924
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]thiophene-3-carboxamide
CID 63523702
N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 4837318
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452902
N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 2452904
3,5-dimethyl-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzamide
CID 8018859
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-3-carboxamide
CID 55209412
N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-2-carboxamide
CID 8500551
4-N-[1-[4-(2-methylpropyl)phenyl]ethyl]benzene-1,4-dicarboxamide
CID 46807135
2-[(5-bromothiophene-3-carbonyl)amino]-3-phenylpropanoic acid
CID 43353217
N-[1-(3-acetamidophenyl)ethyl]-5-bromothiophene-3-carboxamide
CID 60735684

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide (CID 63525114) is 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide is CC(C)Cc1ccc(C(C)NC(=O)c2csc(Br)c2)cc1.
What is the InChIKey of 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide?
The InChIKey is XSOFVIZNFZXSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNOS/c1-11(2)8-13-4-6-14(7-5-13)12(3)19-17(20)15-9-16(18)21-10-15/h4-7,9-12H,8H2,1-3H3,(H,19,20).
What are the key properties of 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide?
5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide has a molecular weight of 366.32 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[4-(2-methylpropyl)phenyl]ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 63525114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).