5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide

C15H18ClNO4S — CID 95321771

IUPAC5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H18ClNO4S/c1-4-17(10(2)9-22(3,19)20)15(18)14-8-11-7-12(16)5-6-13(11)21-14/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyRXVRKINDASDSIA-JTQLQIEISA-N
MW343.83 g/mol
LogP2.98
Rot. Bonds5

About 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide

5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 95321771) has the molecular formula C15H18ClNO4S and a molecular weight of 343.83 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID95321771
Molecular FormulaC15H18ClNO4S
Molecular Weight343.83 g/mol
Exact Mass343.06
IUPAC Name5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H18ClNO4S/c1-4-17(10(2)9-22(3,19)20)15(18)14-8-11-7-12(16)5-6-13(11)21-14/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1
InChIKeyRXVRKINDASDSIA-JTQLQIEISA-N
XLogP2.98
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
1-(5-chloro-1-benzofuran-2-yl)propan-1-one
CID 65425941
2-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylpentan-1-one
CID 114736238
5-chloro-N-methylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
CID 3841365
5-chloro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 137314516
5-amino-1-(5-chloro-1-benzofuran-2-yl)-2-methylpentan-1-one
CID 114737402
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094
1-(5-chloro-1-benzofuran-2-yl)-3-(ethylamino)butan-1-one
CID 114736502
5-chloro-N-methyl-N-[(4-methylphenyl)methylsulfamoyl]-1-benzofuran-2-carboxamide
CID 11625341
3-amino-1-(5-chloro-1-benzofuran-2-yl)hexan-1-one
CID 114737318
4-(5-chloro-1-benzofuran-2-carbonyl)-N,N-diethylpiperazine-1-sulfonamide
CID 17491607

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide (CID 95321771) is 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide is CCN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H](C)CS(C)(=O)=O.
What is the InChIKey of 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is RXVRKINDASDSIA-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18ClNO4S/c1-4-17(10(2)9-22(3,19)20)15(18)14-8-11-7-12(16)5-6-13(11)21-14/h5-8,10H,4,9H2,1-3H3/t10-/m0/s1.
What are the key properties of 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide?
5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 343.83 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 95321771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).