N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide

C21H23N3O4S — CID 20855688

IUPACN-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H23N3O4S/c1-15-9-11-19(12-10-15)24(29(26,27)21-16(2)23-28-17(21)3)14-20(25)22-13-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyBRMVKEOPNAONGM-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.11
Rot. Bonds7

About N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide

N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (PubChem CID 20855688) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
PubChem CID20855688
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H23N3O4S/c1-15-9-11-19(12-10-15)24(29(26,27)21-16(2)23-28-17(21)3)14-20(25)22-13-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,22,25)
InChIKeyBRMVKEOPNAONGM-UHFFFAOYSA-N
XLogP3.11
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The IUPAC name of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (CID 20855688) is N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.
What is the SMILES notation for N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The canonical SMILES for N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide is Cc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The InChIKey is BRMVKEOPNAONGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-15-9-11-19(12-10-15)24(29(26,27)21-16(2)23-28-17(21)3)14-20(25)22-13-18-7-5-4-6-8-18/h4-12H,13-14H2,1-3H3,(H,22,25).
What are the key properties of N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide has a molecular weight of 413.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide is sourced from PubChem (CID 20855688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).