N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide

C10H13NOS — CID 61473728

IUPACN-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C10H13NOS/c1-3-10(12)11-8(2)6-9-4-5-13-7-9/h3-5,7-8H,1,6H2,2H3,(H,11,12)
InChIKeyLERSDTZYHSTHDH-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.98
Rot. Bonds4

About N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide

N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide (PubChem CID 61473728) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
PubChem CID61473728
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC NameN-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)Cc1ccsc1
InChIInChI=1S/C10H13NOS/c1-3-10(12)11-8(2)6-9-4-5-13-7-9/h3-5,7-8H,1,6H2,2H3,(H,11,12)
InChIKeyLERSDTZYHSTHDH-UHFFFAOYSA-N
XLogP1.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
(2S)-2-amino-3-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 61474644
5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pentanamide
CID 61473652
3-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 62831629
3-(propan-2-ylamino)-N-(1-thiophen-3-ylpropan-2-yl)propanamide
CID 54953742
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
CID 126816815
2-amino-2-methyl-N-(1-thiophen-3-ylpropan-2-yl)butanamide
CID 79805381
N-(1-thiophen-3-ylpropan-2-yl)formamide
CID 64992100
2-(1-thiophen-3-ylpropan-2-ylcarbamoyl)benzoic acid
CID 61475052
2-amino-N-(1-thiophen-3-ylpropan-2-yl)butanediamide
CID 54954197
N-(1-thiophen-3-ylpropan-2-yl)imidazole-1-carboxamide
CID 61477612
3,3-dimethyl-5-oxo-5-(1-thiophen-3-ylpropan-2-ylamino)pentanoic acid
CID 62934254

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide (CID 61473728) is N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)Cc1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide?
The InChIKey is LERSDTZYHSTHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c1-3-10(12)11-8(2)6-9-4-5-13-7-9/h3-5,7-8H,1,6H2,2H3,(H,11,12).
What are the key properties of N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide?
N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide has a molecular weight of 195.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 61473728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).