(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide

C12H17NOS — CID 94082032

IUPAC(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide
SMILESCC/C=C(\C)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C12H17NOS/c1-4-5-10(2)12(14)13(3)8-11-6-7-15-9-11/h5-7,9H,4,8H2,1-3H3/b10-5+
InChIKeyLNYFZWSDTHTIFY-BJMVGYQFSA-N
MW223.34 g/mol
LogP3.06
Rot. Bonds4

About (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide

(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide (PubChem CID 94082032) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide.

Molecular Properties

Compound Name(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide
PubChem CID94082032
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide
SMILESCC/C=C(\C)C(=O)N(C)Cc1ccsc1
InChIInChI=1S/C12H17NOS/c1-4-5-10(2)12(14)13(3)8-11-6-7-15-9-11/h5-7,9H,4,8H2,1-3H3/b10-5+
InChIKeyLNYFZWSDTHTIFY-BJMVGYQFSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[methyl-[(Z)-2-methylpent-2-enoyl]amino]methyl]benzoic acid
CID 51087525
N,2,2-trimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 39966816
2,2,2-trifluoro-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62733557
2-amino-N,2-dimethyl-N-(thiophen-3-ylmethyl)butanamide
CID 79797348
2-(ethylamino)-N,2-dimethyl-N-(thiophen-3-ylmethyl)propanamide
CID 62831220
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-N,2-dimethylpent-2-enamide
CID 94082091
2-(ethylamino)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 60685569
3-[methyl(thiophen-3-ylmethyl)amino]prop-2-enoic acid
CID 79889953
2-[methyl-[methyl(thiophen-3-ylmethyl)carbamoyl]amino]acetic acid
CID 43528522
2-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethoxy]acetic acid
CID 61328793
2-(4-chlorophenyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 110868986
1-methyl-3-propan-2-yl-1-(thiophen-3-ylmethyl)urea
CID 53016506

Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide?
The IUPAC name of (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide (CID 94082032) is (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide.
What is the SMILES notation for (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide?
The canonical SMILES for (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide is CC/C=C(\C)C(=O)N(C)Cc1ccsc1.
What is the InChIKey of (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide?
The InChIKey is LNYFZWSDTHTIFY-BJMVGYQFSA-N. The full InChI is InChI=1S/C12H17NOS/c1-4-5-10(2)12(14)13(3)8-11-6-7-15-9-11/h5-7,9H,4,8H2,1-3H3/b10-5+.
What are the key properties of (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide?
(E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide has a molecular weight of 223.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-N-(thiophen-3-ylmethyl)pent-2-enamide is sourced from PubChem (CID 94082032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).