2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide

C14H22N4O2S — CID 67077567

IUPAC2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(C)sc2NC(N)=O)C1
InChIInChI=1S/C14H22N4O2S/c1-3-18-6-4-5-10(8-18)16-12(19)11-7-9(2)21-13(11)17-14(15)20/h7,10H,3-6,8H2,1-2H3,(H,16,19)(H3,15,17,20)
InChIKeyYHONVYJMVUMQAJ-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds4

About 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide

2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide (PubChem CID 67077567) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide
PubChem CID67077567
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide
SMILESCCN1CCCC(NC(=O)c2cc(C)sc2NC(N)=O)C1
InChIInChI=1S/C14H22N4O2S/c1-3-18-6-4-5-10(8-18)16-12(19)11-7-9(2)21-13(11)17-14(15)20/h7,10H,3-6,8H2,1-2H3,(H,16,19)(H3,15,17,20)
InChIKeyYHONVYJMVUMQAJ-UHFFFAOYSA-N
XLogP1.76
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide (CID 67077567) is 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide is CCN1CCCC(NC(=O)c2cc(C)sc2NC(N)=O)C1.
What is the InChIKey of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide?
The InChIKey is YHONVYJMVUMQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-3-18-6-4-5-10(8-18)16-12(19)11-7-9(2)21-13(11)17-14(15)20/h7,10H,3-6,8H2,1-2H3,(H,16,19)(H3,15,17,20).
What are the key properties of 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide?
2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(1-ethylpiperidin-3-yl)-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 67077567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).