N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide

C15H18N2O2S — CID 104859465

IUPACN-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-19-13-7-10-20-14(13)15(18)17(9-8-16)11-12-5-3-2-4-6-12/h2-7,10H,8-9,11,16H2,1H3
InChIKeyBLZDCANGEJKLBG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.36
Rot. Bonds6

About N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide

N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide (PubChem CID 104859465) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
PubChem CID104859465
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)N(CCN)Cc1ccccc1
InChIInChI=1S/C15H18N2O2S/c1-19-13-7-10-20-14(13)15(18)17(9-8-16)11-12-5-3-2-4-6-12/h2-7,10H,8-9,11,16H2,1H3
InChIKeyBLZDCANGEJKLBG-UHFFFAOYSA-N
XLogP2.36
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
N-[(4-aminophenyl)methyl]-N-ethyl-3-methoxythiophene-2-carboxamide
CID 81116669
N-(3-aminopropyl)-N-benzyl-3-bromothiophene-2-carboxamide
CID 107365765
1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
CID 61109705
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
benzyl N-(2-aminoethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]carbamate
CID 71214789
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)thiophene-2-carboxamide
CID 115772776
N'-[(3-methoxythiophen-2-yl)methyl]-N'-(2-phenylethyl)ethane-1,2-diamine
CID 120912913
N-(2-aminoethyl)-N-benzyl-5-iodothiophene-3-carboxamide
CID 104859489
1-(2-aminoethyl)-3-benzyl-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]urea
CID 71175731
N-(2-aminoethyl)-N-benzyl-2-(2-methoxyethoxy)acetamide
CID 104859530

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide (CID 104859465) is N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)N(CCN)Cc1ccccc1.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide?
The InChIKey is BLZDCANGEJKLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-19-13-7-10-20-14(13)15(18)17(9-8-16)11-12-5-3-2-4-6-12/h2-7,10H,8-9,11,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide?
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 104859465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).