2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide

C19H32N2O3S — CID 113069547

IUPAC2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(c1c(C)cccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-7-16(8-2)19(22)20-12-13-21(25(6,23)24)18-15(5)10-9-11-17(18)14(3)4/h9-11,14,16H,7-8,12-13H2,1-6H3,(H,20,22)
InChIKeySCPSJZGODLJDPQ-UHFFFAOYSA-N
MW368.54 g/mol
LogP3.44
Rot. Bonds9

About 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide

2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide (PubChem CID 113069547) has the molecular formula C19H32N2O3S and a molecular weight of 368.54 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
PubChem CID113069547
Molecular FormulaC19H32N2O3S
Molecular Weight368.54 g/mol
Exact Mass368.21
IUPAC Name2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN(c1c(C)cccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C19H32N2O3S/c1-7-16(8-2)19(22)20-12-13-21(25(6,23)24)18-15(5)10-9-11-17(18)14(3)4/h9-11,14,16H,7-8,12-13H2,1-6H3,(H,20,22)
InChIKeySCPSJZGODLJDPQ-UHFFFAOYSA-N
XLogP3.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113069035
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
CID 113069555
1-cyclopropyl-3-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]urea
CID 113069568
N-[2-(2,6-dimethyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069028
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113069288
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
2-ethyl-N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]butanamide
CID 113069165
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
CID 113143277
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
CID 113070548
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide (CID 113069547) is 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide is CCC(CC)C(=O)NCCN(c1c(C)cccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide?
The InChIKey is SCPSJZGODLJDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3S/c1-7-16(8-2)19(22)20-12-13-21(25(6,23)24)18-15(5)10-9-11-17(18)14(3)4/h9-11,14,16H,7-8,12-13H2,1-6H3,(H,20,22).
What are the key properties of 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide?
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide has a molecular weight of 368.54 g/mol, XLogP of 3.44, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide is sourced from PubChem (CID 113069547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).