4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide

C23H31N3O4S — CID 25161805

IUPAC4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-2-3-12-30-19-8-6-18(7-9-19)23(28)25-17-22(27)24-16-20(21-5-4-15-31-21)26-10-13-29-14-11-26/h4-9,15,20H,2-3,10-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyOLBVXHKFWNUPGA-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.85
Rot. Bonds11

About 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide

4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide (PubChem CID 25161805) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
PubChem CID25161805
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NCC(c2cccs2)N2CCOCC2)cc1
InChIInChI=1S/C23H31N3O4S/c1-2-3-12-30-19-8-6-18(7-9-19)23(28)25-17-22(27)24-16-20(21-5-4-15-31-21)26-10-13-29-14-11-26/h4-9,15,20H,2-3,10-14,16-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyOLBVXHKFWNUPGA-UHFFFAOYSA-N
XLogP2.85
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide (CID 25161805) is 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NCC(c2cccs2)N2CCOCC2)cc1.
What is the InChIKey of 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
The InChIKey is OLBVXHKFWNUPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-2-3-12-30-19-8-6-18(7-9-19)23(28)25-17-22(27)24-16-20(21-5-4-15-31-21)26-10-13-29-14-11-26/h4-9,15,20H,2-3,10-14,16-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide?
4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide has a molecular weight of 445.59 g/mol, XLogP of 2.85, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-[(2-morpholin-4-yl-2-thiophen-2-ylethyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 25161805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).