3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide

C20H26N2O3S — CID 113143277

IUPAC3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
SMILESCc1cccc(C(C)C)c1N(CCC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-15(2)18-12-8-9-16(3)20(18)22(26(4,24)25)14-13-19(23)21-17-10-6-5-7-11-17/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyNWOFGXZXQKGNLU-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.91
Rot. Bonds7

About 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide

3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide (PubChem CID 113143277) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
PubChem CID113143277
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide
SMILESCc1cccc(C(C)C)c1N(CCC(=O)Nc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-15(2)18-12-8-9-16(3)20(18)22(26(4,24)25)14-13-19(23)21-17-10-6-5-7-11-17/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyNWOFGXZXQKGNLU-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanophenyl)-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143286
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 113143288
N-phenyl-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143166
N-cyclopentyl-3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)propanamide
CID 113143249
N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]-2-phenylacetamide
CID 113069558
N-(3-chlorophenyl)-2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)acetamide
CID 113154527
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
N-(4-methylphenyl)-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143169
N-cyclopentyl-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146226
3-(2,6-diethyl-N-methylsulfonylanilino)-N-(2-methylphenyl)propanamide
CID 113143230

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide?
The IUPAC name of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide (CID 113143277) is 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide.
What is the SMILES notation for 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide?
The canonical SMILES for 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide is Cc1cccc(C(C)C)c1N(CCC(=O)Nc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide?
The InChIKey is NWOFGXZXQKGNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)18-12-8-9-16(3)20(18)22(26(4,24)25)14-13-19(23)21-17-10-6-5-7-11-17/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide?
3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide has a molecular weight of 374.51 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)-N-phenylpropanamide is sourced from PubChem (CID 113143277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).