N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide

C14H14BrNOS — CID 43022770

IUPACN-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
SMILESCCC(NC(=O)c1ccsc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-2-13(10-3-5-12(15)6-4-10)16-14(17)11-7-8-18-9-11/h3-9,13H,2H2,1H3,(H,16,17)
InChIKeyLIXUPQPDKNBHHJ-UHFFFAOYSA-N
MW324.24 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide

N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide (PubChem CID 43022770) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
PubChem CID43022770
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC NameN-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide
SMILESCCC(NC(=O)c1ccsc1)c1ccc(Br)cc1
InChIInChI=1S/C14H14BrNOS/c1-2-13(10-3-5-12(15)6-4-10)16-14(17)11-7-8-18-9-11/h3-9,13H,2H2,1H3,(H,16,17)
InChIKeyLIXUPQPDKNBHHJ-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-[1-(4-bromophenyl)propyl]benzamide
CID 107980228
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
N-[(1S)-1-(4-bromophenyl)propyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 27164187
N-[1-(4-bromophenyl)propyl]-4-(dimethylamino)benzamide
CID 43011620
2-amino-N-[1-(4-bromophenyl)propyl]-1,3-thiazole-4-carboxamide
CID 62787341
N-[1-(4-bromophenyl)propyl]-1,3-thiazole-5-carboxamide
CID 17399690
2-amino-N-[1-(4-bromophenyl)propyl]acetamide
CID 43233777
N-pent-1-yn-3-ylthiophene-3-carboxamide
CID 103579364
N-(3-oxopentan-2-yl)thiophene-3-carboxamide
CID 64992041
ethyl N-[(1S)-1-(4-bromophenyl)propyl]carbamate
CID 95358471
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]thiophene-3-carboxamide
CID 47459937
4-acetyl-N-[1-(4-bromophenyl)propyl]-1H-pyrrole-2-carboxamide
CID 46415953

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide (CID 43022770) is N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide is CCC(NC(=O)c1ccsc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide?
The InChIKey is LIXUPQPDKNBHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-2-13(10-3-5-12(15)6-4-10)16-14(17)11-7-8-18-9-11/h3-9,13H,2H2,1H3,(H,16,17).
What are the key properties of N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide?
N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide has a molecular weight of 324.24 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]thiophene-3-carboxamide is sourced from PubChem (CID 43022770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).