2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide

C18H22N4O2S — CID 10109058

IUPAC2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(CN3CCCCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H22N4O2S/c19-16(23)14-10-15(25-17(14)21-18(20)24)13-6-4-12(5-7-13)11-22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11H2,(H2,19,23)(H3,20,21,24)
InChIKeyJYHYTJMGGOSNTG-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.99
Rot. Bonds5

About 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide (PubChem CID 10109058) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide
PubChem CID10109058
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccc(CN3CCCCC3)cc2)cc1C(N)=O
InChIInChI=1S/C18H22N4O2S/c19-16(23)14-10-15(25-17(14)21-18(20)24)13-6-4-12(5-7-13)11-22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11H2,(H2,19,23)(H3,20,21,24)
InChIKeyJYHYTJMGGOSNTG-UHFFFAOYSA-N
XLogP2.99
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide (CID 10109058) is 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccc(CN3CCCCC3)cc2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide?
The InChIKey is JYHYTJMGGOSNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c19-16(23)14-10-15(25-17(14)21-18(20)24)13-6-4-12(5-7-13)11-22-8-2-1-3-9-22/h4-7,10H,1-3,8-9,11H2,(H2,19,23)(H3,20,21,24).
What are the key properties of 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[4-(piperidin-1-ylmethyl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 10109058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).