2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide

C18H22N4O2S — CID 44560706

IUPAC2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide
SMILESCN1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)sc2NC(N)=O)C1
InChIInChI=1S/C18H22N4O2S/c1-22-9-5-8-13(11-22)20-16(23)14-10-15(12-6-3-2-4-7-12)25-17(14)21-18(19)24/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,20,23)(H3,19,21,24)/t13-/m1/s1
InChIKeyUBZNCKMMWOCMGD-CYBMUJFWSA-N
MW358.47 g/mol
LogP2.73
Rot. Bonds4

About 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide

2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide (PubChem CID 44560706) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide
PubChem CID44560706
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide
SMILESCN1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)sc2NC(N)=O)C1
InChIInChI=1S/C18H22N4O2S/c1-22-9-5-8-13(11-22)20-16(23)14-10-15(12-6-3-2-4-7-12)25-17(14)21-18(19)24/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,20,23)(H3,19,21,24)/t13-/m1/s1
InChIKeyUBZNCKMMWOCMGD-CYBMUJFWSA-N
XLogP2.73
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide (CID 44560706) is 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide is CN1CCC[C@@H](NC(=O)c2cc(-c3ccccc3)sc2NC(N)=O)C1.
What is the InChIKey of 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide?
The InChIKey is UBZNCKMMWOCMGD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-22-9-5-8-13(11-22)20-16(23)14-10-15(12-6-3-2-4-7-12)25-17(14)21-18(19)24/h2-4,6-7,10,13H,5,8-9,11H2,1H3,(H,20,23)(H3,19,21,24)/t13-/m1/s1.
What are the key properties of 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide?
2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(3R)-1-methylpiperidin-3-yl]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 44560706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).