2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

C17H17Cl2NO2S — CID 30943783

IUPAC2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2S/c18-12-3-4-14(19)13(10-12)16(21)20-11-17(5-7-22-8-6-17)15-2-1-9-23-15/h1-4,9-10H,5-8,11H2,(H,20,21)
InChIKeyYCJPJOFOTVSEKF-UHFFFAOYSA-N
MW370.30 g/mol
LogP4.53
Rot. Bonds4

About 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide

2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (PubChem CID 30943783) has the molecular formula C17H17Cl2NO2S and a molecular weight of 370.30 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
PubChem CID30943783
Molecular FormulaC17H17Cl2NO2S
Molecular Weight370.30 g/mol
Exact Mass369.04
IUPAC Name2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2cccs2)CCOCC1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C17H17Cl2NO2S/c18-12-3-4-14(19)13(10-12)16(21)20-11-17(5-7-22-8-6-17)15-2-1-9-23-15/h1-4,9-10H,5-8,11H2,(H,20,21)
InChIKeyYCJPJOFOTVSEKF-UHFFFAOYSA-N
XLogP4.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
2,4-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1082222
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 71989539
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
2-ethoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943676
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
2,5-dichloro-N-[(4-phenylsulfanyloxan-4-yl)methyl]benzamide
CID 72716994
2-(difluoromethylsulfonyl)-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 72717858
3-fluoro-4-methoxy-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 71806743
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-5-chloro-2-fluorobenzamide
CID 55865048

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide (CID 30943783) is 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is O=C(NCC1(c2cccs2)CCOCC1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
The InChIKey is YCJPJOFOTVSEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO2S/c18-12-3-4-14(19)13(10-12)16(21)20-11-17(5-7-22-8-6-17)15-2-1-9-23-15/h1-4,9-10H,5-8,11H2,(H,20,21).
What are the key properties of 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide?
2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide has a molecular weight of 370.30 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 30943783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).