2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide

C23H33N5O3S — CID 11676957

IUPAC2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide
SMILESCCN(CC)CCOc1cccc(-c2cc(C(=O)NC3CCCNC3)c(NC(N)=O)s2)c1
InChIInChI=1S/C23H33N5O3S/c1-3-28(4-2)11-12-31-18-9-5-7-16(13-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-8-6-10-25-15-17/h5,7,9,13-14,17,25H,3-4,6,8,10-12,15H2,1-2H3,(H,26,29)(H3,24,27,30)
InChIKeyVQZOFFVCEALYHF-UHFFFAOYSA-N
MW459.62 g/mol
LogP3.11
Rot. Bonds10

About 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide

2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide (PubChem CID 11676957) has the molecular formula C23H33N5O3S and a molecular weight of 459.62 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide
PubChem CID11676957
Molecular FormulaC23H33N5O3S
Molecular Weight459.62 g/mol
Exact Mass459.23
IUPAC Name2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide
SMILESCCN(CC)CCOc1cccc(-c2cc(C(=O)NC3CCCNC3)c(NC(N)=O)s2)c1
InChIInChI=1S/C23H33N5O3S/c1-3-28(4-2)11-12-31-18-9-5-7-16(13-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-8-6-10-25-15-17/h5,7,9,13-14,17,25H,3-4,6,8,10-12,15H2,1-2H3,(H,26,29)(H3,24,27,30)
InChIKeyVQZOFFVCEALYHF-UHFFFAOYSA-N
XLogP3.11
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 53.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide (CID 11676957) is 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide is CCN(CC)CCOc1cccc(-c2cc(C(=O)NC3CCCNC3)c(NC(N)=O)s2)c1.
What is the InChIKey of 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide?
The InChIKey is VQZOFFVCEALYHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3S/c1-3-28(4-2)11-12-31-18-9-5-7-16(13-18)20-14-19(22(32-20)27-23(24)30)21(29)26-17-8-6-10-25-15-17/h5,7,9,13-14,17,25H,3-4,6,8,10-12,15H2,1-2H3,(H,26,29)(H3,24,27,30).
What are the key properties of 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide?
2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide has a molecular weight of 459.62 g/mol, XLogP of 3.11, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-[3-[2-(diethylamino)ethoxy]phenyl]-N-piperidin-3-ylthiophene-3-carboxamide is sourced from PubChem (CID 11676957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).