2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide

C12H19BrClN3OS — CID 102840263

IUPAC2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
SMILESCCN(CC)CCNC(C(N)=O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H19BrClN3OS/c1-3-17(4-2)6-5-16-10(12(15)18)9-7-8(13)11(14)19-9/h7,10,16H,3-6H2,1-2H3,(H2,15,18)
InChIKeyFRBIWZWRYPQLMP-UHFFFAOYSA-N
MW368.73 g/mol
LogP2.62
Rot. Bonds8

About 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide

2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide (PubChem CID 102840263) has the molecular formula C12H19BrClN3OS and a molecular weight of 368.73 g/mol. Its IUPAC name is 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
PubChem CID102840263
Molecular FormulaC12H19BrClN3OS
Molecular Weight368.73 g/mol
Exact Mass367.01
IUPAC Name2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide
SMILESCCN(CC)CCNC(C(N)=O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C12H19BrClN3OS/c1-3-17(4-2)6-5-16-10(12(15)18)9-7-8(13)11(14)19-9/h7,10,16H,3-6H2,1-2H3,(H2,15,18)
InChIKeyFRBIWZWRYPQLMP-UHFFFAOYSA-N
XLogP2.62
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.73
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
2-(2-bromophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 54941562
2-(3-bromo-4-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 61036831
2-(benzylamino)-2-(4-bromo-5-chlorothiophen-2-yl)acetamide
CID 102840225
methyl 2-(4-bromo-5-chlorothiophen-2-yl)-2-(2-methoxyethylamino)acetate
CID 102841044
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
2-(5-bromothiophen-2-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 61346233
1-(4-bromo-5-chlorothiophen-2-yl)-N-[2-(dimethylamino)ethyl]ethane-1,2-diamine
CID 102839484
2-(2-chloro-6-methoxyphenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 104816476
3-(4-bromo-5-chlorothiophen-2-yl)-3-(diethylamino)propanoic acid
CID 102844851
(3R)-3-amino-3-(4-bromo-5-chlorothiophen-2-yl)propanamide
CID 102841382
3-[(4-bromo-5-chlorothiophen-2-yl)methyl-ethylamino]propanoic acid
CID 102845004

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide?
The IUPAC name of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide (CID 102840263) is 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide.
What is the SMILES notation for 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide?
The canonical SMILES for 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide is CCN(CC)CCNC(C(N)=O)c1cc(Br)c(Cl)s1.
What is the InChIKey of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide?
The InChIKey is FRBIWZWRYPQLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrClN3OS/c1-3-17(4-2)6-5-16-10(12(15)18)9-7-8(13)11(14)19-9/h7,10,16H,3-6H2,1-2H3,(H2,15,18).
What are the key properties of 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide?
2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide has a molecular weight of 368.73 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-chlorothiophen-2-yl)-2-[2-(diethylamino)ethylamino]acetamide is sourced from PubChem (CID 102840263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).