N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide

C22H26N2O4S — CID 71455876

IUPACN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2
InChIInChI=1S/C22H26N2O4S/c1-14(2)15-5-3-4-6-16(15)20(25)23-21-19(17-7-10-28-13-18(17)29-21)22(26)24-8-11-27-12-9-24/h3-6,14H,7-13H2,1-2H3,(H,23,25)
InChIKeyLSPWEIAKXAXDEV-UHFFFAOYSA-N
MW414.53 g/mol
LogP3.67
Rot. Bonds4

About N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide

N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide (PubChem CID 71455876) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide
PubChem CID71455876
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2
InChIInChI=1S/C22H26N2O4S/c1-14(2)15-5-3-4-6-16(15)20(25)23-21-19(17-7-10-28-13-18(17)29-21)22(26)24-8-11-27-12-9-24/h3-6,14H,7-13H2,1-2H3,(H,23,25)
InChIKeyLSPWEIAKXAXDEV-UHFFFAOYSA-N
XLogP3.67
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide (CID 71455876) is N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide is CC(C)c1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCOC2.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide?
The InChIKey is LSPWEIAKXAXDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-14(2)15-5-3-4-6-16(15)20(25)23-21-19(17-7-10-28-13-18(17)29-21)22(26)24-8-11-27-12-9-24/h3-6,14H,7-13H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide?
N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide has a molecular weight of 414.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]-2-propan-2-ylbenzamide is sourced from PubChem (CID 71455876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).