2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide

C17H21N3O2S — CID 53383640

IUPAC2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N3O2S/c18-16-14(12-15(23-16)13-4-2-1-3-5-13)17(21)19-6-7-20-8-10-22-11-9-20/h1-5,12H,6-11,18H2,(H,19,21)
InChIKeyVHGZSFRECMRXFS-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide

2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide (PubChem CID 53383640) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide
PubChem CID53383640
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide
SMILESNc1sc(-c2ccccc2)cc1C(=O)NCCN1CCOCC1
InChIInChI=1S/C17H21N3O2S/c18-16-14(12-15(23-16)13-4-2-1-3-5-13)17(21)19-6-7-20-8-10-22-11-9-20/h1-5,12H,6-11,18H2,(H,19,21)
InChIKeyVHGZSFRECMRXFS-UHFFFAOYSA-N
XLogP2.06
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide (CID 53383640) is 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide is Nc1sc(-c2ccccc2)cc1C(=O)NCCN1CCOCC1.
What is the InChIKey of 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide?
The InChIKey is VHGZSFRECMRXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c18-16-14(12-15(23-16)13-4-2-1-3-5-13)17(21)19-6-7-20-8-10-22-11-9-20/h1-5,12H,6-11,18H2,(H,19,21).
What are the key properties of 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide?
2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-morpholin-4-ylethyl)-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 53383640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).