N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

C18H22N2OS — CID 120885128

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22N2OS/c19-10-12-20(11-9-14-5-2-1-3-6-14)18(21)17-13-15-7-4-8-16(15)22-17/h1-3,5-6,13H,4,7-12,19H2
InChIKeyREJRJHNXDLSDHG-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.88
Rot. Bonds6

About N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide

N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (PubChem CID 120885128) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
PubChem CID120885128
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1cc2c(s1)CCC2
InChIInChI=1S/C18H22N2OS/c19-10-12-20(11-9-14-5-2-1-3-6-14)18(21)17-13-15-7-4-8-16(15)22-17/h1-3,5-6,13H,4,7-12,19H2
InChIKeyREJRJHNXDLSDHG-UHFFFAOYSA-N
XLogP2.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
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
2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802824
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
2-[5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990322
N-[2-(2-aminoethylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120603902
[2-(benzylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 2615873
[2-(dibenzylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 7238656
N-(2-aminoethyl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 120885554
(4-phenylphenyl)methyl 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 7238987

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide (CID 120885128) is N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is NCCN(CCc1ccccc1)C(=O)c1cc2c(s1)CCC2.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
The InChIKey is REJRJHNXDLSDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c19-10-12-20(11-9-14-5-2-1-3-6-14)18(21)17-13-15-7-4-8-16(15)22-17/h1-3,5-6,13H,4,7-12,19H2.
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide has a molecular weight of 314.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide is sourced from PubChem (CID 120885128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).