N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide

C19H17ClN2O4S — CID 83282582

IUPACN-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C4CC4)c3)nc2c1
InChIInChI=1S/C19H17ClN2O4S/c1-2-27(24,25)13-6-8-17-16(10-13)22-19(26-17)12-5-7-14(20)15(9-12)21-18(23)11-3-4-11/h5-11H,2-4H2,1H3,(H,21,23)
InChIKeyVOVLYDQCHOCZBG-UHFFFAOYSA-N
MW404.88 g/mol
LogP4.29
Rot. Bonds5

About N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide

N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide (PubChem CID 83282582) has the molecular formula C19H17ClN2O4S and a molecular weight of 404.88 g/mol. Its IUPAC name is N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide
PubChem CID83282582
Molecular FormulaC19H17ClN2O4S
Molecular Weight404.88 g/mol
Exact Mass404.06
IUPAC NameN-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide
SMILESCCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C4CC4)c3)nc2c1
InChIInChI=1S/C19H17ClN2O4S/c1-2-27(24,25)13-6-8-17-16(10-13)22-19(26-17)12-5-7-14(20)15(9-12)21-18(23)11-3-4-11/h5-11H,2-4H2,1H3,(H,21,23)
InChIKeyVOVLYDQCHOCZBG-UHFFFAOYSA-N
XLogP4.29
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-5-ethylsulfonyl-1,3-benzoxazole
CID 25211317
5-ethylsulfonyl-2-(6-fluoronaphthalen-2-yl)-1,3-benzoxazole
CID 67331340
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-2,3,4,5,6-pentafluorobenzamide
CID 4175416
2-chloro-N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 23961409
2-chloro-5-ethylsulfonyl-1,3-benzoxazole
CID 58906316
3,4-dichloro-N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 17110487
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-5-chloronaphthalene-1-carboxamide
CID 4566703
N-[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 3502962
N-[[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]carbamothioyl]-2-methylpropanamide
CID 4691851
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]furan-2-carboxamide
CID 4680638
N-[2-chloro-5-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
CID 3669235
N-[5-(5-butan-2-yl-1,3-benzoxazol-2-yl)-2-chlorophenyl]-3-methylbenzamide
CID 3923303

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide (CID 83282582) is N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide is CCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C4CC4)c3)nc2c1.
What is the InChIKey of N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide?
The InChIKey is VOVLYDQCHOCZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4S/c1-2-27(24,25)13-6-8-17-16(10-13)22-19(26-17)12-5-7-14(20)15(9-12)21-18(23)11-3-4-11/h5-11H,2-4H2,1H3,(H,21,23).
What are the key properties of N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide?
N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide has a molecular weight of 404.88 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(5-ethylsulfonyl-1,3-benzoxazol-2-yl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 83282582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).