N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide

C15H26N2OS — CID 119658907

IUPACN-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N(C)CCC(N)C(C)C)cc1C
InChIInChI=1S/C15H26N2OS/c1-6-13-11(4)9-14(19-13)15(18)17(5)8-7-12(16)10(2)3/h9-10,12H,6-8,16H2,1-5H3
InChIKeyDSNTXJTUHSCVHP-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.06
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide

N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide (PubChem CID 119658907) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide
PubChem CID119658907
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC NameN-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide
SMILESCCc1sc(C(=O)N(C)CCC(N)C(C)C)cc1C
InChIInChI=1S/C15H26N2OS/c1-6-13-11(4)9-14(19-13)15(18)17(5)8-7-12(16)10(2)3/h9-10,12H,6-8,16H2,1-5H3
InChIKeyDSNTXJTUHSCVHP-UHFFFAOYSA-N
XLogP3.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-ethyl-4-methylthiophene-2-carbonyl)-methylamino]butanoic acid
CID 43240394
N-(3-amino-4-methylpentyl)-N,3,5-trimethylbenzamide;hydrochloride
CID 119658927
N-(3-amino-4-methylpentyl)-N,5-dimethyl-4-nitrothiophene-2-carboxamide;hydrochloride
CID 119659634
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
5-ethyl-N-(2-hydroxy-3-methylbutyl)-4-methylthiophene-2-carboxamide
CID 115701533
N-(3-amino-4-methylpentyl)-4-(4-methoxyphenyl)-N,5-dimethylthiophene-2-carboxamide;hydrochloride
CID 119657241
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
N-(3-amino-4-methylpentyl)-N,3-dimethyl-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 119658366
N-(3-amino-4-methylpentyl)-5-(ethylsulfamoyl)-N,2-dimethylbenzamide;hydrochloride
CID 119657782
N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
CID 115317476

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide (CID 119658907) is N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide is CCc1sc(C(=O)N(C)CCC(N)C(C)C)cc1C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
The InChIKey is DSNTXJTUHSCVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-13-11(4)9-14(19-13)15(18)17(5)8-7-12(16)10(2)3/h9-10,12H,6-8,16H2,1-5H3.
What are the key properties of N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide?
N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide has a molecular weight of 282.45 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-ethyl-N,4-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 119658907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).