N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide

C15H16ClNO3S — CID 71989474

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO3S/c1-20-9-10-4-2-3-5-11(10)15(19)17-8-12(18)13-6-7-14(16)21-13/h2-7,12,18H,8-9H2,1H3,(H,17,19)
InChIKeyBUQGRNUKTDFPAH-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.01
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide (PubChem CID 71989474) has the molecular formula C15H16ClNO3S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
PubChem CID71989474
Molecular FormulaC15H16ClNO3S
Molecular Weight325.82 g/mol
Exact Mass325.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)c1ccc(Cl)s1
InChIInChI=1S/C15H16ClNO3S/c1-20-9-10-4-2-3-5-11(10)15(19)17-8-12(18)13-6-7-14(16)21-13/h2-7,12,18H,8-9H2,1H3,(H,17,19)
InChIKeyBUQGRNUKTDFPAH-UHFFFAOYSA-N
XLogP3.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide (CID 71989474) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCC(O)c1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
The InChIKey is BUQGRNUKTDFPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3S/c1-20-9-10-4-2-3-5-11(10)15(19)17-8-12(18)13-6-7-14(16)21-13/h2-7,12,18H,8-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide has a molecular weight of 325.82 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-(methoxymethyl)benzamide is sourced from PubChem (CID 71989474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).