N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide

C18H28N2O3S — CID 113156587

IUPACN-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1N(CC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C18H28N2O3S/c1-12(2)15-7-6-8-16(13(3)4)18(15)20(24(5,22)23)11-17(21)19-14-9-10-14/h6-8,12-14H,9-11H2,1-5H3,(H,19,21)
InChIKeyXEQMIWMMYGOMQB-UHFFFAOYSA-N
MW352.50 g/mol
LogP2.98
Rot. Bonds7

About N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide

N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide (PubChem CID 113156587) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
PubChem CID113156587
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
SMILESCC(C)c1cccc(C(C)C)c1N(CC(=O)NC1CC1)S(C)(=O)=O
InChIInChI=1S/C18H28N2O3S/c1-12(2)15-7-6-8-16(13(3)4)18(15)20(24(5,22)23)11-17(21)19-14-9-10-14/h6-8,12-14H,9-11H2,1-5H3,(H,19,21)
InChIKeyXEQMIWMMYGOMQB-UHFFFAOYSA-N
XLogP2.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
N-cyclopropyl-2-(2-ethyl-6-methyl-N-methylsulfonylanilino)acetamide
CID 113154205
N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]-N-pentylacetamide
CID 113156608
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212
methyl 3-[[2-(cyclopropylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155927
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide
CID 113154527
N-cyclopropyl-2-(2,5-dimethyl-N-methylsulfonylanilino)acetamide
CID 816090
N-(1-methylpiperidin-4-yl)-2-[methylsulfonyl(naphthalen-1-yl)amino]acetamide
CID 50945576

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide?
The IUPAC name of N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide (CID 113156587) is N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide is CC(C)c1cccc(C(C)C)c1N(CC(=O)NC1CC1)S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide?
The InChIKey is XEQMIWMMYGOMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-12(2)15-7-6-8-16(13(3)4)18(15)20(24(5,22)23)11-17(21)19-14-9-10-14/h6-8,12-14H,9-11H2,1-5H3,(H,19,21).
What are the key properties of N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide?
N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide has a molecular weight of 352.50 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide is sourced from PubChem (CID 113156587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).