2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide

C15H18N4O2S — CID 44560913

IUPAC2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C15H18N4O2S/c1-17-7-8-18-13(20)11-9-12(10-5-3-2-4-6-10)22-14(11)19-15(16)21/h2-6,9,17H,7-8H2,1H3,(H,18,20)(H3,16,19,21)
InChIKeyQGFBDWVVQGXJTJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP1.85
Rot. Bonds6

About 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide

2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide (PubChem CID 44560913) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide
PubChem CID44560913
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide
SMILESCNCCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O
InChIInChI=1S/C15H18N4O2S/c1-17-7-8-18-13(20)11-9-12(10-5-3-2-4-6-10)22-14(11)19-15(16)21/h2-6,9,17H,7-8H2,1H3,(H,18,20)(H3,16,19,21)
InChIKeyQGFBDWVVQGXJTJ-UHFFFAOYSA-N
XLogP1.85
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 51.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide (CID 44560913) is 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide is CNCCNC(=O)c1cc(-c2ccccc2)sc1NC(N)=O.
What is the InChIKey of 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide?
The InChIKey is QGFBDWVVQGXJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-17-7-8-18-13(20)11-9-12(10-5-3-2-4-6-10)22-14(11)19-15(16)21/h2-6,9,17H,7-8H2,1H3,(H,18,20)(H3,16,19,21).
What are the key properties of 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide?
2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[2-(methylamino)ethyl]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).