4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide

C15H17BrN2OS — CID 61001055

IUPAC4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C15H17BrN2OS/c1-9-8-11(15(19)17-3)4-5-12(9)18-10(2)13-6-7-14(16)20-13/h4-8,10,18H,1-3H3,(H,17,19)
InChIKeyFJTGINXGZMDEPO-UHFFFAOYSA-N
MW353.29 g/mol
LogP4.35
Rot. Bonds4

About 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide

4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide (PubChem CID 61001055) has the molecular formula C15H17BrN2OS and a molecular weight of 353.29 g/mol. Its IUPAC name is 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide
PubChem CID61001055
Molecular FormulaC15H17BrN2OS
Molecular Weight353.29 g/mol
Exact Mass352.02
IUPAC Name4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NC(C)c2ccc(Br)s2)c(C)c1
InChIInChI=1S/C15H17BrN2OS/c1-9-8-11(15(19)17-3)4-5-12(9)18-10(2)13-6-7-14(16)20-13/h4-8,10,18H,1-3H3,(H,17,19)
InChIKeyFJTGINXGZMDEPO-UHFFFAOYSA-N
XLogP4.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[1-(5-bromothiophen-2-yl)ethylamino]-3-methylbenzoate
CID 61000927
N-[1-(5-bromothiophen-2-yl)ethyl]-2-methyl-4-nitroaniline
CID 54897980
4-[1-(5-bromothiophen-2-yl)ethylamino]-2,5-dimethylphenol
CID 106953509
4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-N,3-dimethylbenzamide
CID 43740192
N-[3-[1-(5-bromothiophen-2-yl)ethylamino]-4-methylphenyl]acetamide
CID 61000928
N,3-dimethyl-4-(1-methylsulfonylpropan-2-ylamino)benzamide
CID 64630962
2-bromo-N-[1-(5-bromothiophen-2-yl)ethyl]-4-methylaniline
CID 63418639
3-[(5-bromothiophen-2-yl)methylamino]-N,4-dimethylbenzamide
CID 43726901
4-(2-methoxypropanoylamino)-N,3-dimethylbenzamide
CID 47307868
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-hydrazinyl-3-methylbenzamide
CID 63211741
4-(1-cyclopropylpropylamino)-N,3-dimethylbenzamide
CID 64917782
4-[1-(3-bromophenyl)ethylamino]-3-methylbenzoic acid
CID 43736128

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide (CID 61001055) is 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NC(C)c2ccc(Br)s2)c(C)c1.
What is the InChIKey of 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide?
The InChIKey is FJTGINXGZMDEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2OS/c1-9-8-11(15(19)17-3)4-5-12(9)18-10(2)13-6-7-14(16)20-13/h4-8,10,18H,1-3H3,(H,17,19).
What are the key properties of 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide?
4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide has a molecular weight of 353.29 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-bromothiophen-2-yl)ethylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 61001055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).