N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide

C18H24N2OS — CID 120884574

IUPACN-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)N(CCN)CCc2ccccc2)sc1C
InChIInChI=1S/C18H24N2OS/c1-3-16-13-17(22-14(16)2)18(21)20(12-10-19)11-9-15-7-5-4-6-8-15/h4-8,13H,3,9-12,19H2,1-2H3
InChIKeyHYZRYDRKRGRFEP-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.26
Rot. Bonds7

About N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide

N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 120884574) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID120884574
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESCCc1cc(C(=O)N(CCN)CCc2ccccc2)sc1C
InChIInChI=1S/C18H24N2OS/c1-3-16-13-17(22-14(16)2)18(21)20(12-10-19)11-9-15-7-5-4-6-8-15/h4-8,13H,3,9-12,19H2,1-2H3
InChIKeyHYZRYDRKRGRFEP-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120885128
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-(2-aminoethyl)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-2-(4-ethylphenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886907
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884701
N-(2-aminoethyl)-3,5-dimethoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 120884398

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide (CID 120884574) is N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide is CCc1cc(C(=O)N(CCN)CCc2ccccc2)sc1C.
What is the InChIKey of N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is HYZRYDRKRGRFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-16-13-17(22-14(16)2)18(21)20(12-10-19)11-9-15-7-5-4-6-8-15/h4-8,13H,3,9-12,19H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide?
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 316.47 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 120884574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).