N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

C17H28N2O4S — CID 133249920

IUPACN-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-12(2)14(5)18-17(20)11-19(24(6,21)22)15-7-9-16(10-8-15)23-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,18,20)
InChIKeyPRHFBTKDEQVBKD-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.40
Rot. Bonds8

About N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide

N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (PubChem CID 133249920) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
PubChem CID133249920
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccc(N(CC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1
InChIInChI=1S/C17H28N2O4S/c1-12(2)14(5)18-17(20)11-19(24(6,21)22)15-7-9-16(10-8-15)23-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,18,20)
InChIKeyPRHFBTKDEQVBKD-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 100563560
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 133243120
2-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 30257105
2-(4-chloro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 100563222
N-[(2S)-3-methylbutan-2-yl]-2-(N-methylsulfonylanilino)acetamide
CID 100563073
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-phenylmethoxyanilino)acetamide
CID 133249821
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30274560
N-[1-(4-methoxyphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 43899355
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 100518959
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30303252
2-(3,4-dimethoxy-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 125074220
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide (CID 133249920) is N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccc(N(CC(=O)NC(C)C(C)C)S(C)(=O)=O)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
The InChIKey is PRHFBTKDEQVBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-12(2)14(5)18-17(20)11-19(24(6,21)22)15-7-9-16(10-8-15)23-13(3)4/h7-10,12-14H,11H2,1-6H3,(H,18,20).
What are the key properties of N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide?
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide has a molecular weight of 356.49 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 133249920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).