5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide

C15H14ClNO3S — CID 97042443

IUPAC5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO3S/c16-14-4-3-13(21-14)15(19)17-8-11(18)9-1-2-12-10(7-9)5-6-20-12/h1-4,7,11,18H,5-6,8H2,(H,17,19)/t11-/m0/s1
InChIKeyUQCLZFQMGHVPRV-NSHDSACASA-N
MW323.80 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide

5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide (PubChem CID 97042443) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
PubChem CID97042443
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide
SMILESO=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(Cl)s1
InChIInChI=1S/C15H14ClNO3S/c16-14-4-3-13(21-14)15(19)17-8-11(18)9-1-2-12-10(7-9)5-6-20-12/h1-4,7,11,18H,5-6,8H2,(H,17,19)/t11-/m0/s1
InChIKeyUQCLZFQMGHVPRV-NSHDSACASA-N
XLogP2.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]benzamide
CID 90580722
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 90580695
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681
N-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]adamantane-1-carboxamide
CID 97042470
N'-(2-chlorophenyl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]oxamide
CID 71803499
N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 97042537
5-chloro-N-[(2S)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95986574
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 90580796
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
N'-[(2S)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-(thiophen-2-ylmethyl)oxamide
CID 97042531

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide (CID 97042443) is 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide is O=C(NC[C@H](O)c1ccc2c(c1)CCO2)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
The InChIKey is UQCLZFQMGHVPRV-NSHDSACASA-N. The full InChI is InChI=1S/C15H14ClNO3S/c16-14-4-3-13(21-14)15(19)17-8-11(18)9-1-2-12-10(7-9)5-6-20-12/h1-4,7,11,18H,5-6,8H2,(H,17,19)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide?
5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide has a molecular weight of 323.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]thiophene-2-carboxamide is sourced from PubChem (CID 97042443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).