5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide

C16H14ClNO3S — CID 111441608

IUPAC5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(O)c2ccsc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO3S/c1-9-12-6-11(17)2-3-14(12)21-15(9)16(20)18-7-13(19)10-4-5-22-8-10/h2-6,8,13,19H,7H2,1H3,(H,18,20)
InChIKeyRGDHUSZWVKSKRB-UHFFFAOYSA-N
MW335.81 g/mol
LogP3.92
Rot. Bonds4

About 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide

5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 111441608) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID111441608
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC Name5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCC(O)c2ccsc2)oc2ccc(Cl)cc12
InChIInChI=1S/C16H14ClNO3S/c1-9-12-6-11(17)2-3-14(12)21-15(9)16(20)18-7-13(19)10-4-5-22-8-10/h2-6,8,13,19H,7H2,1H3,(H,18,20)
InChIKeyRGDHUSZWVKSKRB-UHFFFAOYSA-N
XLogP3.92
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(2R)-2-(ethylamino)propyl]-3-methyl-1-benzofuran-2-carboxamide
CID 120652977
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2-methoxypropanoic acid
CID 106107067
5-chloro-N-[2-(ethylamino)-2-oxoethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 17427942
5-chloro-3-methyl-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]-1-benzofuran-2-carboxamide
CID 35573380
3-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 81367767
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
N-(2-benzamidoethyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 134046532
3-[(dimethylamino)methyl]-N-(2-hydroxy-2-thiophen-3-ylethyl)-1-benzofuran-2-carboxamide
CID 71990827
5-chloro-3-methyl-N-[(2S)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 35343024
5-chloro-3-methyl-N-(2-piperidin-1-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide
CID 17013877
5-chloro-3-methyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 40708349
5-chloro-3-methyl-N-(5-methylhexan-2-yl)-1-benzofuran-2-carboxamide
CID 16561047

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide (CID 111441608) is 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCC(O)c2ccsc2)oc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RGDHUSZWVKSKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-9-12-6-11(17)2-3-14(12)21-15(9)16(20)18-7-13(19)10-4-5-22-8-10/h2-6,8,13,19H,7H2,1H3,(H,18,20).
What are the key properties of 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide?
5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 335.81 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111441608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).