1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea

C14H14N2O2S2 — CID 121131918

IUPAC1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
SMILESC=CCNC(=O)NCc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C14H14N2O2S2/c1-2-7-15-14(18)16-9-10-5-6-12(20-10)13(17)11-4-3-8-19-11/h2-6,8H,1,7,9H2,(H2,15,16,18)
InChIKeyFLNYIHRUOFJPNU-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.03
Rot. Bonds6

About 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea

1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea (PubChem CID 121131918) has the molecular formula C14H14N2O2S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea.

Molecular Properties

Compound Name1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
PubChem CID121131918
Molecular FormulaC14H14N2O2S2
Molecular Weight306.41 g/mol
Exact Mass306.05
IUPAC Name1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
SMILESC=CCNC(=O)NCc1ccc(C(=O)c2cccs2)s1
InChIInChI=1S/C14H14N2O2S2/c1-2-7-15-14(18)16-9-10-5-6-12(20-10)13(17)11-4-3-8-19-11/h2-6,8H,1,7,9H2,(H2,15,16,18)
InChIKeyFLNYIHRUOFJPNU-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-3-(thiophen-2-ylmethyl)urea
CID 110706901
1-(3-phenylpropyl)-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131937
2-(4-phenylphenyl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131732
3,5-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131645
1-(1,3-benzodioxol-5-yl)-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea
CID 121131938
(E)-3-(furan-2-yl)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]prop-2-enamide
CID 121131633
3-fluoro-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131635
3,4-dimethyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 71803337
2-(4-methylphenoxy)-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]acetamide
CID 121131670
4-methyl-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]thiadiazole-5-carboxamide
CID 121131639
N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 71803346
3,4-dimethoxy-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 121131693

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea?
The IUPAC name of 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea (CID 121131918) is 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea.
What is the SMILES notation for 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea?
The canonical SMILES for 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea is C=CCNC(=O)NCc1ccc(C(=O)c2cccs2)s1.
What is the InChIKey of 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea?
The InChIKey is FLNYIHRUOFJPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2S2/c1-2-7-15-14(18)16-9-10-5-6-12(20-10)13(17)11-4-3-8-19-11/h2-6,8H,1,7,9H2,(H2,15,16,18).
What are the key properties of 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea?
1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea has a molecular weight of 306.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]urea is sourced from PubChem (CID 121131918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).