4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide

C21H28N2O3S — CID 53288521

IUPAC4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
SMILESCc1ccccc1N(CCCC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-16(2)18-11-13-19(14-12-18)22-21(24)10-7-15-23(27(4,25)26)20-9-6-5-8-17(20)3/h5-6,8-9,11-14,16H,7,10,15H2,1-4H3,(H,22,24)
InChIKeyGOBNVIXYPNIZCE-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.30
Rot. Bonds8

About 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide

4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide (PubChem CID 53288521) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
PubChem CID53288521
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
SMILESCc1ccccc1N(CCCC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O3S/c1-16(2)18-11-13-19(14-12-18)22-21(24)10-7-15-23(27(4,25)26)20-9-6-5-8-17(20)3/h5-6,8-9,11-14,16H,7,10,15H2,1-4H3,(H,22,24)
InChIKeyGOBNVIXYPNIZCE-UHFFFAOYSA-N
XLogP4.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
4-(3-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 9173735
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
N-[4-(dimethylamino)phenyl]-3-(2-methyl-N-methylsulfonylanilino)propanamide
CID 113141712
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
methyl 3-[4-(2-methyl-N-methylsulfonylanilino)butanoylamino]benzoate
CID 53288631
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide
CID 100666261
4-(2-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]butanamide
CID 100627533
N-(2-methoxyphenyl)-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 53288629
2-(2-methyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 36612731
4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
CID 133202332
4-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]-N-(4-propan-2-ylphenyl)butanamide
CID 53282333

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
The IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide (CID 53288521) is 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide.
What is the SMILES notation for 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
The canonical SMILES for 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide is Cc1ccccc1N(CCCC(=O)Nc1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
The InChIKey is GOBNVIXYPNIZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-16(2)18-11-13-19(14-12-18)22-21(24)10-7-15-23(27(4,25)26)20-9-6-5-8-17(20)3/h5-6,8-9,11-14,16H,7,10,15H2,1-4H3,(H,22,24).
What are the key properties of 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide?
4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide has a molecular weight of 388.53 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide is sourced from PubChem (CID 53288521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).