N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide

C17H28N2O4S — CID 113145049

IUPACN-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
SMILESCC(C)CNC(=O)CCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-13(2)12-18-17(20)10-11-19(24(5,21)22)15-6-8-16(9-7-15)23-14(3)4/h6-9,13-14H,10-12H2,1-5H3,(H,18,20)
InChIKeyCUGGEGHPRLIDHM-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.40
Rot. Bonds9

About N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide

N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide (PubChem CID 113145049) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
PubChem CID113145049
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide
SMILESCC(C)CNC(=O)CCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C17H28N2O4S/c1-13(2)12-18-17(20)10-11-19(24(5,21)22)15-6-8-16(9-7-15)23-14(3)4/h6-9,13-14H,10-12H2,1-5H3,(H,18,20)
InChIKeyCUGGEGHPRLIDHM-UHFFFAOYSA-N
XLogP2.40
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
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

3-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 113144856
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 113145877
3-(N-methylsulfonyl-4-propan-2-yloxyanilino)-N-prop-2-enylpropanamide
CID 113145047
N-(2-ethylhexyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 133202046
4-(4-chloro-N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 53285359
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]-2-phenylacetamide
CID 113070755
N-[2-(N-methylsulfonyl-4-propan-2-yloxyanilino)ethyl]cyclopropanecarboxamide
CID 113070738
N-(cyclohexen-1-ylmethyl)-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501784
N-(3-methylbutan-2-yl)-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 133249920
N-[2-(3-methylphenoxy)ethyl]-4-(N-methylsulfonyl-4-propan-2-yloxyanilino)butanamide
CID 100501876
N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243
4-(4-methoxy-N-methylsulfonylanilino)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53286658

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide?
The IUPAC name of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide (CID 113145049) is N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide.
What is the SMILES notation for N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide?
The canonical SMILES for N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide is CC(C)CNC(=O)CCN(c1ccc(OC(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide?
The InChIKey is CUGGEGHPRLIDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-13(2)12-18-17(20)10-11-19(24(5,21)22)15-6-8-16(9-7-15)23-14(3)4/h6-9,13-14H,10-12H2,1-5H3,(H,18,20).
What are the key properties of N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide?
N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide has a molecular weight of 356.49 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-3-(N-methylsulfonyl-4-propan-2-yloxyanilino)propanamide is sourced from PubChem (CID 113145049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).