4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide

C15H17ClN2O2S — CID 43742133

IUPAC4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide
SMILESCC(Nc1ccc(C(=O)NCCO)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10(13-6-7-14(16)21-13)18-12-4-2-11(3-5-12)15(20)17-8-9-19/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeySAPACCHFGPKPID-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.30
Rot. Bonds6

About 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide

4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 43742133) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID43742133
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide
SMILESCC(Nc1ccc(C(=O)NCCO)cc1)c1ccc(Cl)s1
InChIInChI=1S/C15H17ClN2O2S/c1-10(13-6-7-14(16)21-13)18-12-4-2-11(3-5-12)15(20)17-8-9-19/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeySAPACCHFGPKPID-UHFFFAOYSA-N
XLogP3.30
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide (CID 43742133) is 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide is CC(Nc1ccc(C(=O)NCCO)cc1)c1ccc(Cl)s1.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is SAPACCHFGPKPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-10(13-6-7-14(16)21-13)18-12-4-2-11(3-5-12)15(20)17-8-9-19/h2-7,10,18-19H,8-9H2,1H3,(H,17,20).
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide?
4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 324.83 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-2-yl)ethylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 43742133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).