2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide

C14H13N3OS — CID 61258574

IUPAC2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
SMILESN#Cc1ccsc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H13N3OS/c15-9-11-6-7-19-14(11)17-13(18)12(16)8-10-4-2-1-3-5-10/h1-7,12H,8,16H2,(H,17,18)
InChIKeyJZZWBUIYFFHIIK-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.13
Rot. Bonds4

About 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide

2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide (PubChem CID 61258574) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
PubChem CID61258574
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide
SMILESN#Cc1ccsc1NC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C14H13N3OS/c15-9-11-6-7-19-14(11)17-13(18)12(16)8-10-4-2-1-3-5-10/h1-7,12H,8,16H2,(H,17,18)
InChIKeyJZZWBUIYFFHIIK-UHFFFAOYSA-N
XLogP2.13
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3-cyanothiophen-2-yl)pentanamide
CID 61259478
2-amino-N-(3-cyanothiophen-2-yl)-4-methylpentanamide
CID 61258756
dibenzyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]azanium
CID 2563590
(2S)-2-amino-N-(2-cyano-4-fluorophenyl)-3-phenylpropanamide
CID 82682946
[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 2443492
(2R)-N-(3-cyanothiophen-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 8006101
2-(aminomethyl)-N-(3-cyanothiophen-2-yl)pentanamide
CID 65228936
2-(2-aminophenyl)sulfanyl-N-(3-cyanothiophen-2-yl)acetamide
CID 43249184
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
4-[(2-amino-3-phenylpropanoyl)amino]benzoic acid
CID 22161473
N-(3-cyanothiophen-2-yl)-2-methylbenzamide
CID 7192349
(2R)-2-amino-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 70531106

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
The IUPAC name of 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide (CID 61258574) is 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide is N#Cc1ccsc1NC(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
The InChIKey is JZZWBUIYFFHIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c15-9-11-6-7-19-14(11)17-13(18)12(16)8-10-4-2-1-3-5-10/h1-7,12H,8,16H2,(H,17,18).
What are the key properties of 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide?
2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide has a molecular weight of 271.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyanothiophen-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 61258574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).