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

C14H16N2OS — CID 80506792

IUPACN-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
SMILESNC(CCNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c15-12(11-5-2-1-3-6-11)8-9-16-14(17)13-7-4-10-18-13/h1-7,10,12H,8-9,15H2,(H,16,17)
InChIKeyAKJNFTMNVDESNV-UHFFFAOYSA-N
MW260.36 g/mol
LogP2.57
Rot. Bonds5

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

N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide (PubChem CID 80506792) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
PubChem CID80506792
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(3-amino-3-phenylpropyl)thiophene-2-carboxamide
SMILESNC(CCNC(=O)c1cccs1)c1ccccc1
InChIInChI=1S/C14H16N2OS/c15-12(11-5-2-1-3-6-11)8-9-16-14(17)13-7-4-10-18-13/h1-7,10,12H,8-9,15H2,(H,16,17)
InChIKeyAKJNFTMNVDESNV-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-[(3R)-3-(furan-2-yl)-3-phenylpropyl]thiophene-2-carboxamide
CID 940351
N-(3-amino-3-phenylpropyl)-3-bromothiophene-2-carboxamide
CID 80506518
N-(3-amino-3-phenylpropyl)-3-ethylthiophene-2-carboxamide
CID 80506631
N-[2-[(3-hydroxy-3-phenylpropyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 111471983
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-[1-[(2-amino-2-phenylethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 119527410
N-[(3R)-3-(thiophene-2-carbonylamino)pentyl]thiophene-2-carboxamide
CID 40625219
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
N-[2-(carbamoylamino)ethyl]thiophene-2-carboxamide
CID 115282462
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide (CID 80506792) is N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide is NC(CCNC(=O)c1cccs1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide?
The InChIKey is AKJNFTMNVDESNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c15-12(11-5-2-1-3-6-11)8-9-16-14(17)13-7-4-10-18-13/h1-7,10,12H,8-9,15H2,(H,16,17).
What are the key properties of N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide?
N-(3-amino-3-phenylpropyl)thiophene-2-carboxamide has a molecular weight of 260.36 g/mol, XLogP of 2.57, 5 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)thiophene-2-carboxamide is sourced from PubChem (CID 80506792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).