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

C16H19BrN2OS — CID 43789468

IUPAC2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NC(C)c2sccc2Br)cc1
InChIInChI=1S/C16H19BrN2OS/c1-3-18-15(20)10-12-4-6-13(7-5-12)19-11(2)16-14(17)8-9-21-16/h4-9,11,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyFDHCGAVYJRSXQP-UHFFFAOYSA-N
MW367.31 g/mol
LogP4.36
Rot. Bonds6

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

2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide (PubChem CID 43789468) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
PubChem CID43789468
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide
SMILESCCNC(=O)Cc1ccc(NC(C)c2sccc2Br)cc1
InChIInChI=1S/C16H19BrN2OS/c1-3-18-15(20)10-12-4-6-13(7-5-12)19-11(2)16-14(17)8-9-21-16/h4-9,11,19H,3,10H2,1-2H3,(H,18,20)
InChIKeyFDHCGAVYJRSXQP-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]propanamide
CID 43786026
N-methyl-2-[4-[1-(3-methylthiophen-2-yl)ethylamino]phenyl]acetamide
CID 63991666
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfanylaniline
CID 43759216
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylsulfonylaniline
CID 43761452
4-[1-(3-bromothiophen-2-yl)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 43780736
N-[1-(3-bromothiophen-2-yl)ethyl]-4-(difluoromethylsulfonyl)aniline
CID 43781120
[5-[1-(3-bromothiophen-2-yl)ethylamino]-2-ethoxyphenyl]methanol
CID 60980477
4-bromo-N-[1-(3-bromothiophen-2-yl)ethyl]-3-methylaniline
CID 43759920
N-[1-(3-bromothiophen-2-yl)ethyl]-3-butan-2-yloxyaniline
CID 63477114
5-[1-(3-bromothiophen-2-yl)ethylamino]-1-methylpyridin-2-one
CID 54866057
3-[1-(3-bromothiophen-2-yl)ethylamino]phenol
CID 43771069
N-[4-[1-(3-bromothiophen-2-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]propanamide
CID 59874303

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide?
The IUPAC name of 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide (CID 43789468) is 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide is CCNC(=O)Cc1ccc(NC(C)c2sccc2Br)cc1.
What is the InChIKey of 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide?
The InChIKey is FDHCGAVYJRSXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-3-18-15(20)10-12-4-6-13(7-5-12)19-11(2)16-14(17)8-9-21-16/h4-9,11,19H,3,10H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide?
2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide has a molecular weight of 367.31 g/mol, XLogP of 4.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-bromothiophen-2-yl)ethylamino]phenyl]-N-ethylacetamide is sourced from PubChem (CID 43789468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).