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

C20H27N3O4S — CID 20855663

IUPACN-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H27N3O4S/c1-14-9-11-18(12-10-14)23(13-19(24)21-17-7-5-4-6-8-17)28(25,26)20-15(2)22-27-16(20)3/h9-12,17H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyPBZVYKCXFYQPIC-UHFFFAOYSA-N
MW405.52 g/mol
LogP3.24
Rot. Bonds6

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

N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (PubChem CID 20855663) has the molecular formula C20H27N3O4S and a molecular weight of 405.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
PubChem CID20855663
Molecular FormulaC20H27N3O4S
Molecular Weight405.52 g/mol
Exact Mass405.17
IUPAC NameN-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide
SMILESCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1
InChIInChI=1S/C20H27N3O4S/c1-14-9-11-18(12-10-14)23(13-19(24)21-17-7-5-4-6-8-17)28(25,26)20-15(2)22-27-16(20)3/h9-12,17H,4-8,13H2,1-3H3,(H,21,24)
InChIKeyPBZVYKCXFYQPIC-UHFFFAOYSA-N
XLogP3.24
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Glisolamide
CID 65713
N-[3,4-Dioxo-2-(4-{[4-(Trifluoromethyl)benzyl]amino}piperidin-1-Yl)cyclobut-1-En-1-Yl]-3,5-Dimethyl-1,2-Oxazole-4-Sulfonamide
CID 90684391
3,5-dimethyl-N-(2-phenylethyl)-N-(phenylmethyl)-4-isoxazolesulfonamide
CID 3239540
N~2~-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N~1~-(2-ethoxyphenyl)-N~2~-(4-methylphenyl)glycinamide
CID 3244009
2-[N-(4-Methoxyphenyl)3,5-dimethyl-1,2-oxazole-4-sulfonamido]-N-[(4-methylphenyl)methyl]acetamide
CID 20858863
1-({1-[(3,5-Dimethylisoxazol-4-yl)sulfonyl]piperidin-4-yl}carbonyl)-4-(4-fluorophenyl)piperazine
CID 3245224
1-[(3,5-dimethylisoxazol-4-yl)sulfonyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 7436932
1-[(3,5-Dimethyl-4-isoxazolyl)sulfonyl]-N-(3,4-dimethylphenyl)-4-piperidinecarboxamide
CID 7436939
1-{1-[(3,5-Dimethyl-1,2-oxazol-4-YL)sulfonyl]piperidine-4-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 15990538
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 827440
4''-Isopropylamino-biphenyl-2-sulfonic acid (3,4-dimethyl-isoxazol-5-yl)-amide
CID 10667808
(2E)-N-(4-{[(3,4-dimethylisoxazol-5-yl)amino]sulfonyl}phenyl)-3-phenylprop-2-e namide
CID 2319873

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The IUPAC name of N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide (CID 20855663) is N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide is Cc1ccc(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-methylanilino]acetamide?
The InChIKey is PBZVYKCXFYQPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4S/c1-14-9-11-18(12-10-14)23(13-19(24)21-17-7-5-4-6-8-17)28(25,26)20-15(2)22-27-16(20)3/h9-12,17H,4-8,13H2,1-3H3,(H,21,24).
What are the key properties of N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide?
N-cyclohexyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetamide has a molecular weight of 405.52 g/mol, XLogP of 3.24, 6 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-methylanilino]acetamide is sourced from PubChem (CID 20855663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).