N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide

C17H22N2OS — CID 107365501

IUPACN-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCN)Cc2ccccc2)s1
InChIInChI=1S/C17H22N2OS/c1-2-15-9-10-16(21-15)17(20)19(12-6-11-18)13-14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13,18H2,1H3
InChIKeyREXMOKUECWRXCA-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.30
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide

N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide (PubChem CID 107365501) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
PubChem CID107365501
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC NameN-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
SMILESCCc1ccc(C(=O)N(CCCN)Cc2ccccc2)s1
InChIInChI=1S/C17H22N2OS/c1-2-15-9-10-16(21-15)17(20)19(12-6-11-18)13-14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13,18H2,1H3
InChIKeyREXMOKUECWRXCA-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
4-acetyl-N-(3-aminopropyl)-N-benzylthiophene-2-carboxamide
CID 120649352
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-2-bromofuran-3-carboxamide
CID 107365685
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
N-(2-aminoethyl)-N-benzyl-3-ethylthiophene-2-carboxamide
CID 104859488
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
CID 120649558
N-benzyl-5-[2-(methanesulfonamido)ethyl]-N-propylthiophene-2-carboxamide
CID 46533734
N-(2-bromoethyl)-N-butyl-5-ethylthiophene-2-carboxamide
CID 80659849
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide (CID 107365501) is N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide is CCc1ccc(C(=O)N(CCCN)Cc2ccccc2)s1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide?
The InChIKey is REXMOKUECWRXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-2-15-9-10-16(21-15)17(20)19(12-6-11-18)13-14-7-4-3-5-8-14/h3-5,7-10H,2,6,11-13,18H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide?
N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide has a molecular weight of 302.44 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide is sourced from PubChem (CID 107365501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).