N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide

C15H17ClN2OS — CID 120885512

IUPACN-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c16-14-7-6-13(20-14)15(19)18(11-9-17)10-8-12-4-2-1-3-5-12/h1-7H,8-11,17H2
InChIKeyPDCRCFPMCXDTHG-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.05
Rot. Bonds6

About N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide

N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide (PubChem CID 120885512) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
PubChem CID120885512
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2OS/c16-14-7-6-13(20-14)15(19)18(11-9-17)10-8-12-4-2-1-3-5-12/h1-7H,8-11,17H2
InChIKeyPDCRCFPMCXDTHG-UHFFFAOYSA-N
XLogP3.05
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.05
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)-4-bromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120886632
N-(2-aminoethyl)-4-ethyl-5-methyl-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120884574
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-N-(2-phenylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 120885128
N-(2-aminoethyl)-5-[2-(methanesulfonamido)ethyl]-N-(2-phenylethyl)thiophene-2-carboxamide;hydrochloride
CID 120886799
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide
CID 120885066
N-(2-aminoethyl)-2-(2-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120885855
N-(2-aminoethyl)-2-chloro-5-methylsulfanyl-N-(2-phenylethyl)benzamide
CID 120886368
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide (CID 120885512) is N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide is NCCN(CCc1ccccc1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide?
The InChIKey is PDCRCFPMCXDTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c16-14-7-6-13(20-14)15(19)18(11-9-17)10-8-12-4-2-1-3-5-12/h1-7H,8-11,17H2.
What are the key properties of N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide?
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 120885512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).