ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide

C13H23NOS — CID 143490448

IUPACethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
SMILESC=C(C)C.CC.CC(=O)Nc1cscc1C
InChIInChI=1S/C7H9NOS.C4H8.C2H6/c1-5-3-10-4-7(5)8-6(2)9;1-4(2)3;1-2/h3-4H,1-2H3,(H,8,9);1H2,2-3H3;1-2H3
InChIKeyPXFYGZFVLQOSLC-UHFFFAOYSA-N
MW241.40 g/mol
LogP4.62
Rot. Bonds1

About ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide

ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide (PubChem CID 143490448) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide.

Molecular Properties

Compound Nameethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
PubChem CID143490448
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Nameethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide
SMILESC=C(C)C.CC.CC(=O)Nc1cscc1C
InChIInChI=1S/C7H9NOS.C4H8.C2H6/c1-5-3-10-4-7(5)8-6(2)9;1-4(2)3;1-2/h3-4H,1-2H3,(H,8,9);1H2,2-3H3;1-2H3
InChIKeyPXFYGZFVLQOSLC-UHFFFAOYSA-N
XLogP4.62
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
N'-(4-methylthiophen-3-yl)oxamide
CID 131086394
N-(4-methylthiophen-3-yl)cyclobutanecarboxamide
CID 130670865
2-bromo-N-(4-methylthiophen-3-yl)propanamide
CID 131183167
(4-methylthiophen-3-yl)thiourea
CID 130773944
2-amino-2-methyl-N-(4-methylthiophen-3-yl)butanamide
CID 131043496
3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
CID 130979130
ethane;(4-methylthiophen-3-yl)hydrazine
CID 143422051
3-iodo-N-(4-methylthiophen-3-yl)thiophene-2-carboxamide
CID 130992683
5-bromo-N-(4-methylthiophen-3-yl)furan-2-carboxamide
CID 130992843
N-(2,5-dimethylpyrazol-3-yl)-N'-(4-methylthiophen-3-yl)oxamide
CID 91650906
N-methyl-2-[(4-methylthiophen-3-yl)amino]acetamide
CID 131043094

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide?
The IUPAC name of ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide (CID 143490448) is ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide.
What is the SMILES notation for ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide?
The canonical SMILES for ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide is C=C(C)C.CC.CC(=O)Nc1cscc1C.
What is the InChIKey of ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide?
The InChIKey is PXFYGZFVLQOSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS.C4H8.C2H6/c1-5-3-10-4-7(5)8-6(2)9;1-4(2)3;1-2/h3-4H,1-2H3,(H,8,9);1H2,2-3H3;1-2H3.
What are the key properties of ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide?
ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide has a molecular weight of 241.40 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylprop-1-ene;N-(4-methylthiophen-3-yl)acetamide is sourced from PubChem (CID 143490448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).