4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide

C21H28N2O4S — CID 133202332

IUPAC4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
SMILESCc1ccccc1N(CCCC(=O)NC(C)COc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-17-10-7-8-13-20(17)23(28(3,25)26)15-9-14-21(24)22-18(2)16-27-19-11-5-4-6-12-19/h4-8,10-13,18H,9,14-16H2,1-3H3,(H,22,24)
InChIKeyLBXVWECMMZKQDH-UHFFFAOYSA-N
MW404.53 g/mol
LogP3.12
Rot. Bonds10

About 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide

4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide (PubChem CID 133202332) has the molecular formula C21H28N2O4S and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
PubChem CID133202332
Molecular FormulaC21H28N2O4S
Molecular Weight404.53 g/mol
Exact Mass404.18
IUPAC Name4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
SMILESCc1ccccc1N(CCCC(=O)NC(C)COc1ccccc1)S(C)(=O)=O
InChIInChI=1S/C21H28N2O4S/c1-17-10-7-8-13-20(17)23(28(3,25)26)15-9-14-21(24)22-18(2)16-27-19-11-5-4-6-12-19/h4-8,10-13,18H,9,14-16H2,1-3H3,(H,22,24)
InChIKeyLBXVWECMMZKQDH-UHFFFAOYSA-N
XLogP3.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
4-(3-methoxy-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide
CID 133184345
4-(3-methoxy-N-methylsulfonylanilino)-N-[(2R)-1-phenoxypropan-2-yl]butanamide
CID 125057323
4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(2R)-1-(3,4-dimethylphenoxy)propan-2-yl]butanamide
CID 100504765
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]butanamide
CID 125042890
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(4-methylsulfonylphenyl)ethyl]butanamide
CID 133165749
4-(4-chloro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]butanamide
CID 132671755
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 99132737
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-(1-methoxypropan-2-yl)butanamide
CID 21367968
4-(2-methyl-N-methylsulfonylanilino)-N-(4-propan-2-ylphenyl)butanamide
CID 53288521
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132825

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide?
The IUPAC name of 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide (CID 133202332) is 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide.
What is the SMILES notation for 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide?
The canonical SMILES for 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide is Cc1ccccc1N(CCCC(=O)NC(C)COc1ccccc1)S(C)(=O)=O.
What is the InChIKey of 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide?
The InChIKey is LBXVWECMMZKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4S/c1-17-10-7-8-13-20(17)23(28(3,25)26)15-9-14-21(24)22-18(2)16-27-19-11-5-4-6-12-19/h4-8,10-13,18H,9,14-16H2,1-3H3,(H,22,24).
What are the key properties of 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide?
4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide has a molecular weight of 404.53 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-N-methylsulfonylanilino)-N-(1-phenoxypropan-2-yl)butanamide is sourced from PubChem (CID 133202332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).