N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide

C12H17NOS — CID 78997668

IUPACN-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
SMILESCC=CC(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C12H17NOS/c1-4-5-12(14)13-9(2)8-11-7-6-10(3)15-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyBHCIRQOTASZCNS-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.68
Rot. Bonds4

About N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide

N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide (PubChem CID 78997668) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide.

Molecular Properties

Compound NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
PubChem CID78997668
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC NameN-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide
SMILESCC=CC(=O)NC(C)Cc1ccc(C)s1
InChIInChI=1S/C12H17NOS/c1-4-5-12(14)13-9(2)8-11-7-6-10(3)15-11/h4-7,9H,8H2,1-3H3,(H,13,14)
InChIKeyBHCIRQOTASZCNS-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.68
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

methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
(2R)-2-amino-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pentanamide
CID 104903571
4-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide;hydrochloride
CID 119796726
2,3-dihydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 114344434
2-fluoro-4-hydroxy-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 103941360
(2R)-3,3-dimethyl-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 103928081
2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-phenylpropanamide;hydrochloride
CID 120592916
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-3-phenylpropanamide
CID 78995785
5-bromo-2-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzamide
CID 65311265

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide?
The IUPAC name of N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide (CID 78997668) is N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide.
What is the SMILES notation for N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide?
The canonical SMILES for N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide is CC=CC(=O)NC(C)Cc1ccc(C)s1.
What is the InChIKey of N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide?
The InChIKey is BHCIRQOTASZCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-4-5-12(14)13-9(2)8-11-7-6-10(3)15-11/h4-7,9H,8H2,1-3H3,(H,13,14).
What are the key properties of N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide?
N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide has a molecular weight of 223.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylthiophen-2-yl)propan-2-yl]but-2-enamide is sourced from PubChem (CID 78997668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).