(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone

C16H18N2O2S — CID 2120324

IUPAC(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCc1c(-c2ccccc2)sc(N)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O2S/c1-11-13(16(19)18-7-9-20-10-8-18)15(17)21-14(11)12-5-3-2-4-6-12/h2-6H,7-10,17H2,1H3
InChIKeyCEZSXQKFAJPXBR-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.78
Rot. Bonds2

About (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone

(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone (PubChem CID 2120324) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone
PubChem CID2120324
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone
SMILESCc1c(-c2ccccc2)sc(N)c1C(=O)N1CCOCC1
InChIInChI=1S/C16H18N2O2S/c1-11-13(16(19)18-7-9-20-10-8-18)15(17)21-14(11)12-5-3-2-4-6-12/h2-6H,7-10,17H2,1H3
InChIKeyCEZSXQKFAJPXBR-UHFFFAOYSA-N
XLogP2.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone (CID 2120324) is (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone is Cc1c(-c2ccccc2)sc(N)c1C(=O)N1CCOCC1.
What is the InChIKey of (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone?
The InChIKey is CEZSXQKFAJPXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-13(16(19)18-7-9-20-10-8-18)15(17)21-14(11)12-5-3-2-4-6-12/h2-6H,7-10,17H2,1H3.
What are the key properties of (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone?
(2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone has a molecular weight of 302.40 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-5-phenylthiophen-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2120324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).