N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

C19H18ClNO4S — CID 17414395

IUPACN-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c2cc1C
InChIInChI=1S/C19H18ClNO4S/c1-11-6-15-13(10-25-18(15)7-12(11)2)8-19(22)21-17-9-14(26(3,23)24)4-5-16(17)20/h4-7,9-10H,8H2,1-3H3,(H,21,22)
InChIKeyMMUGRXBCQNTGRQ-UHFFFAOYSA-N
MW391.88 g/mol
LogP4.29
Rot. Bonds4

About N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide

N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (PubChem CID 17414395) has the molecular formula C19H18ClNO4S and a molecular weight of 391.88 g/mol. Its IUPAC name is N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
PubChem CID17414395
Molecular FormulaC19H18ClNO4S
Molecular Weight391.88 g/mol
Exact Mass391.06
IUPAC NameN-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
SMILESCc1cc2occ(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c2cc1C
InChIInChI=1S/C19H18ClNO4S/c1-11-6-15-13(10-25-18(15)7-12(11)2)8-19(22)21-17-9-14(26(3,23)24)4-5-16(17)20/h4-7,9-10H,8H2,1-3H3,(H,21,22)
InChIKeyMMUGRXBCQNTGRQ-UHFFFAOYSA-N
XLogP4.29
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 26364046
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methylphenyl)acetamide
CID 7946686
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-ethylsulfonylphenyl)acetamide
CID 42021987
N-(2-chloro-5-methylsulfonylphenyl)-2-(2-methoxy-5-methylphenyl)acetamide
CID 17418585
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 8864750
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 16547774
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-phenylphenyl)acetamide
CID 16546100
N-(3-chloro-4-cyanophenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide
CID 18284203

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide (CID 17414395) is N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is Cc1cc2occ(CC(=O)Nc3cc(S(C)(=O)=O)ccc3Cl)c2cc1C.
What is the InChIKey of N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
The InChIKey is MMUGRXBCQNTGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO4S/c1-11-6-15-13(10-25-18(15)7-12(11)2)8-19(22)21-17-9-14(26(3,23)24)4-5-16(17)20/h4-7,9-10H,8H2,1-3H3,(H,21,22).
What are the key properties of N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide?
N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide has a molecular weight of 391.88 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylsulfonylphenyl)-2-(5,6-dimethyl-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 17414395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).