5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

C16H19BrN2O2S — CID 51150957

IUPAC5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(Br)s2)N(C)C)c1
InChIInChI=1S/C16H19BrN2O2S/c1-19(2)13(11-5-4-6-12(9-11)21-3)10-18-16(20)14-7-8-15(17)22-14/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyQKUQNYNDRBGDHV-UHFFFAOYSA-N
MW383.31 g/mol
LogP3.55
Rot. Bonds6

About 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide

5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (PubChem CID 51150957) has the molecular formula C16H19BrN2O2S and a molecular weight of 383.31 g/mol. Its IUPAC name is 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
PubChem CID51150957
Molecular FormulaC16H19BrN2O2S
Molecular Weight383.31 g/mol
Exact Mass382.04
IUPAC Name5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
SMILESCOc1cccc(C(CNC(=O)c2ccc(Br)s2)N(C)C)c1
InChIInChI=1S/C16H19BrN2O2S/c1-19(2)13(11-5-4-6-12(9-11)21-3)10-18-16(20)14-7-8-15(17)22-14/h4-9,13H,10H2,1-3H3,(H,18,20)
InChIKeyQKUQNYNDRBGDHV-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 8795965
5-bromo-N-[1-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17329824
2-bromo-5-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 78849646
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 51186668
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994
4-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 78885113
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-hydroxynaphthalene-2-carboxamide
CID 55337121
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
(2R)-2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]propanamide
CID 54991399
2-(4-bromophenoxy)-N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]acetamide
CID 8796210
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-5-methylbenzamide
CID 51186736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide (CID 51150957) is 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is COc1cccc(C(CNC(=O)c2ccc(Br)s2)N(C)C)c1.
What is the InChIKey of 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
The InChIKey is QKUQNYNDRBGDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O2S/c1-19(2)13(11-5-4-6-12(9-11)21-3)10-18-16(20)14-7-8-15(17)22-14/h4-9,13H,10H2,1-3H3,(H,18,20).
What are the key properties of 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide?
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide has a molecular weight of 383.31 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 51150957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).