N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide

C15H17BrN2OS — CID 43786026

IUPACN-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)c2sccc2Br)cc1
InChIInChI=1S/C15H17BrN2OS/c1-3-14(19)18-12-6-4-11(5-7-12)17-10(2)15-13(16)8-9-20-15/h4-10,17H,3H2,1-2H3,(H,18,19)
InChIKeyQBCSIHWSZPGZBN-UHFFFAOYSA-N
MW353.29 g/mol
LogP5.03
Rot. Bonds5

About N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide

N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide (PubChem CID 43786026) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
PubChem CID43786026
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC NameN-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC(C)c2sccc2Br)cc1
InChIInChI=1S/C15H17BrN2OS/c1-3-14(19)18-12-6-4-11(5-7-12)17-10(2)15-13(16)8-9-20-15/h4-10,17H,3H2,1-2H3,(H,18,19)
InChIKeyQBCSIHWSZPGZBN-UHFFFAOYSA-N
XLogP5.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.29
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
CID 43789468
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874303
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 43761452
N-[4-(propan-2-ylamino)phenyl]propanamide
CID 43720685
5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 54866057
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)aniline
CID 43781120
4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43780736
N-[3-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]cyclopropanecarboxamide
CID 43766323
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
N-[4-[1-(4-chlorophenyl)ethylamino]phenyl]propanamide
CID 43720632
ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
CID 61498304
N-[1-(3-bromothiophen-2-yl)ethyl]-3-chloro-4-methylaniline
CID 43757455

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide (CID 43786026) is N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide is CCC(=O)Nc1ccc(NC(C)c2sccc2Br)cc1.
What is the InChIKey of N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide?
The InChIKey is QBCSIHWSZPGZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-3-14(19)18-12-6-4-11(5-7-12)17-10(2)15-13(16)8-9-20-15/h4-10,17H,3H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide?
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide has a molecular weight of 353.29 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 43786026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).