7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide

C17H16ClNO3S — CID 97235399

IUPAC7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](CCO)c2cccs2)oc2c(Cl)cccc12
InChIInChI=1S/C17H16ClNO3S/c1-10-11-4-2-5-12(18)16(11)22-15(10)17(21)19-13(7-8-20)14-6-3-9-23-14/h2-6,9,13,20H,7-8H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyRFKODTHVDLGELH-CYBMUJFWSA-N
MW349.84 g/mol
LogP4.31
Rot. Bonds5

About 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide

7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 97235399) has the molecular formula C17H16ClNO3S and a molecular weight of 349.84 g/mol. Its IUPAC name is 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID97235399
Molecular FormulaC17H16ClNO3S
Molecular Weight349.84 g/mol
Exact Mass349.05
IUPAC Name7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N[C@H](CCO)c2cccs2)oc2c(Cl)cccc12
InChIInChI=1S/C17H16ClNO3S/c1-10-11-4-2-5-12(18)16(11)22-15(10)17(21)19-13(7-8-20)14-6-3-9-23-14/h2-6,9,13,20H,7-8H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyRFKODTHVDLGELH-CYBMUJFWSA-N
XLogP4.31
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.84
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-methyl-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 16546211
7-chloro-3-methyl-N-(1-pyridin-4-ylethyl)-1-benzofuran-2-carboxamide
CID 51148672
3-chloro-N-(3-hydroxy-1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 75393355
7-chloro-3-methyl-N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 7899827
7-chloro-3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 87041238
7-chloro-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 46593265
N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-2,5-dimethylpyrazole-3-carboxamide
CID 97247908
N-[3-(aminomethyl)pentan-3-yl]-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119569557
N-(3-aminopropyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119405924
7-chloro-N-(1-hydroxypropan-2-yl)-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 109388515
N-(4-acetylphenyl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 7945365
7-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 8011985

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide (CID 97235399) is 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N[C@H](CCO)c2cccs2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RFKODTHVDLGELH-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16ClNO3S/c1-10-11-4-2-5-12(18)16(11)22-15(10)17(21)19-13(7-8-20)14-6-3-9-23-14/h2-6,9,13,20H,7-8H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide?
7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 349.84 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(1R)-3-hydroxy-1-thiophen-2-ylpropyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 97235399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).