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

C21H29N3O4S — CID 4621413

IUPACN-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H29N3O4S/c1-4-17-10-12-19(13-11-17)24(14-20(25)22-18-8-6-5-7-9-18)29(26,27)21-15(2)23-28-16(21)3/h10-13,18H,4-9,14H2,1-3H3,(H,22,25)
InChIKeyRDLAHGATTFEYLB-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.50
Rot. Bonds7

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

N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide (PubChem CID 4621413) has the molecular formula C21H29N3O4S and a molecular weight of 419.55 g/mol. Its IUPAC name is N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
PubChem CID4621413
Molecular FormulaC21H29N3O4S
Molecular Weight419.55 g/mol
Exact Mass419.19
IUPAC NameN-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide
SMILESCCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C21H29N3O4S/c1-4-17-10-12-19(13-11-17)24(14-20(25)22-18-8-6-5-7-9-18)29(26,27)21-15(2)23-28-16(21)3/h10-13,18H,4-9,14H2,1-3H3,(H,22,25)
InChIKeyRDLAHGATTFEYLB-UHFFFAOYSA-N
XLogP3.50
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
The IUPAC name of N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide (CID 4621413) is N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide is CCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1.
What is the InChIKey of N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
The InChIKey is RDLAHGATTFEYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4S/c1-4-17-10-12-19(13-11-17)24(14-20(25)22-18-8-6-5-7-9-18)29(26,27)21-15(2)23-28-16(21)3/h10-13,18H,4-9,14H2,1-3H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide?
N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide has a molecular weight of 419.55 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethylanilino]acetamide is sourced from PubChem (CID 4621413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).