N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide

C19H19ClN2O4S — CID 20618154

IUPACN-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide
SMILESCCC(C(=O)Nc1cc2oc(C)nc2cc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19ClN2O4S/c1-4-18(27(24,25)13-7-5-11(2)6-8-13)19(23)22-15-10-17-16(9-14(15)20)21-12(3)26-17/h5-10,18H,4H2,1-3H3,(H,22,23)
InChIKeyHYDVLASOPKSMAR-UHFFFAOYSA-N
MW406.89 g/mol
LogP4.29
Rot. Bonds5

About N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide

N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide (PubChem CID 20618154) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide
PubChem CID20618154
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC NameN-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide
SMILESCCC(C(=O)Nc1cc2oc(C)nc2cc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19ClN2O4S/c1-4-18(27(24,25)13-7-5-11(2)6-8-13)19(23)22-15-10-17-16(9-14(15)20)21-12(3)26-17/h5-10,18H,4H2,1-3H3,(H,22,23)
InChIKeyHYDVLASOPKSMAR-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 ≤ 500406.89
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamido-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;N-(4-amino-2-chloro-5-hydroxyphenyl)-2-(4-methylphenyl)sulfonylbutanamide;5-chloro-2-methyl-1,3-benzoxazol-6-amine;N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide;2-(4-methylphenyl)sulfonylbutanoyl chloride
CID 157206496
N-[2-chloro-5-hydroxy-4-(2-methylprop-2-enoylamino)phenyl]-2-(4-methylphenyl)sulfonylbutanamide
CID 20618135
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-4-cyanobenzamide
CID 22964937
N-[4-[2-(benzenesulfonyl)butanoylamino]-5-chloro-2-hydroxyphenyl]-2-chloro-4-methylbenzamide
CID 59950451
5-chloro-N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide
CID 59941862
N-[5-chloro-2-hydroxy-4-[2-(4-methylphenyl)sulfonylbutanoylamino]phenyl]-1-(3,4-dichlorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 59941888
2-acetamido-N-[4-[2-[3,4-bis(methylsulfanyl)phenyl]sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 22979704
N-[4-[2-(4-tert-butylphenyl)sulfonylbutanoylamino]-5-chloro-2-hydroxyphenyl]-4-methylbenzamide;N-[5-chloro-4-[2-(3,4-dimethylphenyl)sulfonylpropanoylamino]-2-hydroxyphenyl]-4-methylbenzamide
CID 90889339
N-[2-chloro-4-(2-hydrazinylidenepropanoylamino)-5-hydroxyphenyl]-2-(4-chlorophenyl)sulfonylbutanamide
CID 59062155
2,6-dichloro-N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]pyridine-3-carboxamide
CID 18740299
N-[5-chloro-2-hydroxy-4-[2-(3-methylphenyl)sulfonylbutanoylamino]phenyl]-2-hydroxybenzamide
CID 59950442
(2R)-N-(2-chloro-4-fluorophenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25474138

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide?
The IUPAC name of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide (CID 20618154) is N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide.
What is the SMILES notation for N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide?
The canonical SMILES for N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide is CCC(C(=O)Nc1cc2oc(C)nc2cc1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide?
The InChIKey is HYDVLASOPKSMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-4-18(27(24,25)13-7-5-11(2)6-8-13)19(23)22-15-10-17-16(9-14(15)20)21-12(3)26-17/h5-10,18H,4H2,1-3H3,(H,22,23).
What are the key properties of N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide?
N-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide has a molecular weight of 406.89 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-(5-chloro-2-methyl-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)sulfonylbutanamide is sourced from PubChem (CID 20618154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).