3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide

C14H15ClN2O2S — CID 111778066

IUPAC3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-4-12(20-13)9-17-11-3-1-2-10(8-11)14(19)16-6-7-18/h1-5,8,17-18H,6-7,9H2,(H,16,19)
InChIKeyDNUWSSFAOMKRAR-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.74
Rot. Bonds6

About 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide

3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide (PubChem CID 111778066) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
PubChem CID111778066
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide
SMILESO=C(NCCO)c1cccc(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-4-12(20-13)9-17-11-3-1-2-10(8-11)14(19)16-6-7-18/h1-5,8,17-18H,6-7,9H2,(H,16,19)
InChIKeyDNUWSSFAOMKRAR-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide (CID 111778066) is 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide is O=C(NCCO)c1cccc(NCc2ccc(Cl)s2)c1.
What is the InChIKey of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
The InChIKey is DNUWSSFAOMKRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-13-5-4-12(20-13)9-17-11-3-1-2-10(8-11)14(19)16-6-7-18/h1-5,8,17-18H,6-7,9H2,(H,16,19).
What are the key properties of 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide?
3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide has a molecular weight of 310.81 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorothiophen-2-yl)methylamino]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 111778066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).