2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid

C18H24N2O4S — CID 171781597

IUPAC2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid
SMILESCCN(CC)CCN(CC(=O)O)C(=O)c1cc2ccc(OC)cc2s1
InChIInChI=1S/C18H24N2O4S/c1-4-19(5-2)8-9-20(12-17(21)22)18(23)16-10-13-6-7-14(24-3)11-15(13)25-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22)
InChIKeyWZXABTCGEKYDPN-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.78
Rot. Bonds9

About 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid

2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid (PubChem CID 171781597) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid
PubChem CID171781597
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC Name2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid
SMILESCCN(CC)CCN(CC(=O)O)C(=O)c1cc2ccc(OC)cc2s1
InChIInChI=1S/C18H24N2O4S/c1-4-19(5-2)8-9-20(12-17(21)22)18(23)16-10-13-6-7-14(24-3)11-15(13)25-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22)
InChIKeyWZXABTCGEKYDPN-UHFFFAOYSA-N
XLogP2.78
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-methoxy-1-benzothiophene-2-carboxylate
CID 11831419
N,N-diethyl-6-fluoro-1-benzothiophene-2-carboxamide
CID 78911895
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 43961053
N-[2-(diethylamino)ethyl]-3,5-dimethoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 41344895
2-[2-methoxyethyl-(5-nitro-1-benzothiophene-2-carbonyl)amino]acetic acid
CID 119189388
2-[2-methoxyethyl(thieno[3,2-b]thiophene-5-carbonyl)amino]acetic acid
CID 80733581
5-chloro-N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 41344916
(4-hydroxyphenyl)-(6-methoxy-1-benzothiophen-2-yl)methanone
CID 154359392
N-[2-(diethylamino)ethyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(4-methoxyphenyl)acetamide;hydrochloride
CID 44991283
N-[2-(diethylamino)ethyl]-3-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 7511235
2-[2-(dimethylamino)ethyl-(2-hydroxy-5-methoxybenzoyl)amino]acetic acid
CID 107424156
3-(6-methoxy-1-benzothiophen-2-yl)-2,2-dimethylpropanoic acid
CID 117196034

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid (CID 171781597) is 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid is CCN(CC)CCN(CC(=O)O)C(=O)c1cc2ccc(OC)cc2s1.
What is the InChIKey of 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid?
The InChIKey is WZXABTCGEKYDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-19(5-2)8-9-20(12-17(21)22)18(23)16-10-13-6-7-14(24-3)11-15(13)25-16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,21,22).
What are the key properties of 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid?
2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid has a molecular weight of 364.47 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl-(6-methoxy-1-benzothiophene-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 171781597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).