N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide

C16H20N2OS — CID 80506631

IUPACN-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-2-12-9-11-20-15(12)16(19)18-10-8-14(17)13-6-4-3-5-7-13/h3-7,9,11,14H,2,8,10,17H2,1H3,(H,18,19)
InChIKeyOWFCIGZXFYMSRM-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.13
Rot. Bonds6

About N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide

N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide (PubChem CID 80506631) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
PubChem CID80506631
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
SMILESCCc1ccsc1C(=O)NCCC(N)c1ccccc1
InChIInChI=1S/C16H20N2OS/c1-2-12-9-11-20-15(12)16(19)18-10-8-14(17)13-6-4-3-5-7-13/h3-7,9,11,14H,2,8,10,17H2,1H3,(H,18,19)
InChIKeyOWFCIGZXFYMSRM-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
CID 80506518
4-[(3-ethylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 80539115
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
CID 80506792
N-(3-amino-3-phenylpropyl)-2-ethylbutanamide
CID 80506593
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-ethylthiophene-2-carboxamide;hydrochloride
CID 119527260
N-(2-amino-2-phenylethyl)-3-methylthiophene-2-carboxamide
CID 63120577
N-(3-chloro-4-methoxybutyl)-3-ethylthiophene-2-carboxamide
CID 106243561
2-[[(3-ethylthiophene-2-carbonyl)amino]methyl]butanoic acid
CID 65217931
N-(2-bromo-1-phenylethyl)-3-ethylthiophene-2-carboxamide
CID 113274753
N-(3-aminobutyl)-3-phenylthiophene-2-carboxamide
CID 119497469
3-ethyl-N-[2-(propylamino)ethyl]thiophene-2-carboxamide
CID 62658051

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide (CID 80506631) is N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide is CCc1ccsc1C(=O)NCCC(N)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide?
The InChIKey is OWFCIGZXFYMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-2-12-9-11-20-15(12)16(19)18-10-8-14(17)13-6-4-3-5-7-13/h3-7,9,11,14H,2,8,10,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide?
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide is sourced from PubChem (CID 80506631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).