2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide

C18H22N4O2S — CID 44560937

IUPAC2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCCNC1
InChIInChI=1S/C18H22N4O2S/c19-18(24)22-17-14(9-15(25-17)13-6-2-1-3-7-13)16(23)21-11-12-5-4-8-20-10-12/h1-3,6-7,9,12,20H,4-5,8,10-11H2,(H,21,23)(H3,19,22,24)/t12-/m1/s1
InChIKeyGJKQWBXWRRIYFO-GFCCVEGCSA-N
MW358.47 g/mol
LogP2.64
Rot. Bonds5

About 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide

2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide (PubChem CID 44560937) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide
PubChem CID44560937
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCCNC1
InChIInChI=1S/C18H22N4O2S/c19-18(24)22-17-14(9-15(25-17)13-6-2-1-3-7-13)16(23)21-11-12-5-4-8-20-10-12/h1-3,6-7,9,12,20H,4-5,8,10-11H2,(H,21,23)(H3,19,22,24)/t12-/m1/s1
InChIKeyGJKQWBXWRRIYFO-GFCCVEGCSA-N
XLogP2.64
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide (CID 44560937) is 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide is NC(=O)Nc1sc(-c2ccccc2)cc1C(=O)NC[C@@H]1CCCNC1.
What is the InChIKey of 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide?
The InChIKey is GJKQWBXWRRIYFO-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N4O2S/c19-18(24)22-17-14(9-15(25-17)13-6-2-1-3-7-13)16(23)21-11-12-5-4-8-20-10-12/h1-3,6-7,9,12,20H,4-5,8,10-11H2,(H,21,23)(H3,19,22,24)/t12-/m1/s1.
What are the key properties of 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide?
2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-phenyl-N-[[(3R)-piperidin-3-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 44560937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).