N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide

C16H22N2O3S — CID 724225

IUPACN-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2
InChIInChI=1S/C16H22N2O3S/c1-11(19)17-15-14(16(20)18-7-9-21-10-8-18)12-5-3-2-4-6-13(12)22-15/h2-10H2,1H3,(H,17,19)
InChIKeyRCLKTYSMMACBOZ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.45
Rot. Bonds2

About N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide

N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide (PubChem CID 724225) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide
PubChem CID724225
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC NameN-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide
SMILESCC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2
InChIInChI=1S/C16H22N2O3S/c1-11(19)17-15-14(16(20)18-7-9-21-10-8-18)12-5-3-2-4-6-13(12)22-15/h2-10H2,1H3,(H,17,19)
InChIKeyRCLKTYSMMACBOZ-UHFFFAOYSA-N
XLogP2.45
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide (CID 724225) is N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide is CC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide?
The InChIKey is RCLKTYSMMACBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-11(19)17-15-14(16(20)18-7-9-21-10-8-18)12-5-3-2-4-6-13(12)22-15/h2-10H2,1H3,(H,17,19).
What are the key properties of N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide?
N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide has a molecular weight of 322.43 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]acetamide is sourced from PubChem (CID 724225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).