N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide

C13H18N2O2S — CID 18776403

IUPACN-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
SMILESCCCNC(=O)C(C)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-3-8-14-13(17)10(2)15-12(16)7-6-11-5-4-9-18-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,17)(H,15,16)/b7-6+
InChIKeyWSNVDAWBBHGQLF-VOTSOKGWSA-N
MW266.37 g/mol
LogP1.79
Rot. Bonds6

About N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide

N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide (PubChem CID 18776403) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
PubChem CID18776403
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide
SMILESCCCNC(=O)C(C)NC(=O)/C=C/c1cccs1
InChIInChI=1S/C13H18N2O2S/c1-3-8-14-13(17)10(2)15-12(16)7-6-11-5-4-9-18-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,17)(H,15,16)/b7-6+
InChIKeyWSNVDAWBBHGQLF-VOTSOKGWSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-propylpropanamide
CID 7581820
(2S)-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]hexanoic acid
CID 93031840
(E)-N-pent-4-yn-2-yl-3-thiophen-2-ylprop-2-enamide
CID 115661838
(E)-N-[(1R)-1-(2-bromophenyl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 8759799
N-(2-amino-3-methylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 77021858
methyl (2R)-4-methyl-2-(3-thiophen-2-ylprop-2-enoylamino)pentanoate
CID 91536082
(E)-N-(ethylcarbamothioyl)-3-thiophen-2-ylprop-2-enamide
CID 6235093
(E)-N-[(1S)-1-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 26278243
(E)-N-[3-(methylamino)propyl]-3-thiophen-2-ylprop-2-enamide;hydrochloride
CID 131668133
(E)-N-(2-amino-2-ethylbutyl)-3-thiophen-2-ylprop-2-enamide
CID 81483652
(E)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-thiophen-2-ylprop-2-enamide
CID 114177469
N-(3-hydroxy-4,4-dimethylpentyl)-3-thiophen-2-ylprop-2-enamide
CID 71960773

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide?
The IUPAC name of N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide (CID 18776403) is N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide?
The canonical SMILES for N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide is CCCNC(=O)C(C)NC(=O)/C=C/c1cccs1.
What is the InChIKey of N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide?
The InChIKey is WSNVDAWBBHGQLF-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-3-8-14-13(17)10(2)15-12(16)7-6-11-5-4-9-18-11/h4-7,9-10H,3,8H2,1-2H3,(H,14,17)(H,15,16)/b7-6+.
What are the key properties of N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide?
N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide has a molecular weight of 266.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[[(E)-3-thiophen-2-ylprop-2-enoyl]amino]propanamide is sourced from PubChem (CID 18776403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).