N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

C23H33N3O4S — CID 20858922

IUPACN-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-16(2)19-11-13-21(14-12-19)26(31(28,29)23-17(3)25-30-18(23)4)15-22(27)24-20-9-7-5-6-8-10-20/h11-14,16,20H,5-10,15H2,1-4H3,(H,24,27)
InChIKeyMTMMXBHNGRHPFT-UHFFFAOYSA-N
MW447.60 g/mol
LogP4.45
Rot. Bonds7

About N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide

N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (PubChem CID 20858922) has the molecular formula C23H33N3O4S and a molecular weight of 447.60 g/mol. Its IUPAC name is N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
PubChem CID20858922
Molecular FormulaC23H33N3O4S
Molecular Weight447.60 g/mol
Exact Mass447.22
IUPAC NameN-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
SMILESCc1noc(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C23H33N3O4S/c1-16(2)19-11-13-21(14-12-19)26(31(28,29)23-17(3)25-30-18(23)4)15-22(27)24-20-9-7-5-6-8-10-20/h11-14,16,20H,5-10,15H2,1-4H3,(H,24,27)
InChIKeyMTMMXBHNGRHPFT-UHFFFAOYSA-N
XLogP4.45
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.60
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 124772270
N-cyclohexyl-2-(N-(4-methylphenyl)sulfonyl-4-propan-2-ylanilino)acetamide
CID 30170797
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 129425038
N-(1,3-benzodioxol-5-ylmethyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide
CID 5307909
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]-N-(3-ethylphenyl)acetamide
CID 20858939
N-(2,3-dimethylcyclohexyl)-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
CID 5309294
N-butan-2-yl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-ethoxyanilino]acetamide
CID 5308324
2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-methylanilino]acetic acid
CID 3453928
2-[N-(benzenesulfonyl)anilino]-N-cyclohexylacetamide
CID 555477
N-cyclopentyl-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1102315
N-cyclopentyl-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 1109471
N-cycloheptyl-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 126029990

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The IUPAC name of N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide (CID 20858922) is N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is Cc1noc(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C(C)C)cc1.
What is the InChIKey of N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
The InChIKey is MTMMXBHNGRHPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4S/c1-16(2)19-11-13-21(14-12-19)26(31(28,29)23-17(3)25-30-18(23)4)15-22(27)24-20-9-7-5-6-8-10-20/h11-14,16,20H,5-10,15H2,1-4H3,(H,24,27).
What are the key properties of N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide?
N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide has a molecular weight of 447.60 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[N-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-propan-2-ylanilino]acetamide is sourced from PubChem (CID 20858922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).