N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

C21H23N3O4S — CID 26698015

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)ccc2o1
InChIInChI=1S/C21H23N3O4S/c1-14-9-11-24(12-10-14)29(26,27)18-6-3-16(4-7-18)21(25)23-17-5-8-20-19(13-17)22-15(2)28-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyGPZHLTGDQSBLQS-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.81
Rot. Bonds4

About N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 26698015) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID26698015
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)ccc2o1
InChIInChI=1S/C21H23N3O4S/c1-14-9-11-24(12-10-14)29(26,27)18-6-3-16(4-7-18)21(25)23-17-5-8-20-19(13-17)22-15(2)28-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,25)
InChIKeyGPZHLTGDQSBLQS-UHFFFAOYSA-N
XLogP3.81
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 1010611
2-methyl-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazole
CID 110759784
1-(4-bromophenyl)sulfonyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 24612048
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
4-(4-methylpiperidin-1-yl)sulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 18274530
4-(4-methylpiperidin-1-yl)sulfonyl-N-(4-morpholin-4-ylphenyl)benzamide
CID 26269172
(3R)-1-(benzenesulfonyl)-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 38747759
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(prop-2-enylsulfamoyl)benzamide
CID 37040634
3-(cyclopropylsulfamoyl)-N-(2-methyl-1,3-benzoxazol-5-yl)benzamide
CID 37040498
6-chloro-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-3-carboxamide
CID 9492793
4-(4-methylpiperidin-1-yl)sulfonyl-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3291723
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9033710

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 26698015) is N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1nc2cc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is GPZHLTGDQSBLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-14-9-11-24(12-10-14)29(26,27)18-6-3-16(4-7-18)21(25)23-17-5-8-20-19(13-17)22-15(2)28-20/h3-8,13-14H,9-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 413.50 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 26698015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).