2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide

C18H19ClN2O3S — CID 9291130

IUPAC2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)CCl)c1C(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN2O3S/c1-12-15(18(23)21-7-9-24-10-8-21)17(20-14(22)11-19)25-16(12)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,20,22)
InChIKeyZZAHXZVBGVXCPI-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.37
Rot. Bonds4

About 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide

2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide (PubChem CID 9291130) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
PubChem CID9291130
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
SMILESCc1c(-c2ccccc2)sc(NC(=O)CCl)c1C(=O)N1CCOCC1
InChIInChI=1S/C18H19ClN2O3S/c1-12-15(18(23)21-7-9-24-10-8-21)17(20-14(22)11-19)25-16(12)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,20,22)
InChIKeyZZAHXZVBGVXCPI-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide (CID 9291130) is 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide is Cc1c(-c2ccccc2)sc(NC(=O)CCl)c1C(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
The InChIKey is ZZAHXZVBGVXCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-12-15(18(23)21-7-9-24-10-8-21)17(20-14(22)11-19)25-16(12)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide has a molecular weight of 378.88 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide is sourced from PubChem (CID 9291130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).