N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide

C22H30N2O4S — CID 99132737

IUPACN-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
SMILESCC[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-20(18-12-14-19(28-3)15-13-18)23-22(25)11-8-16-24(29(4,26)27)21-10-7-6-9-17(21)2/h6-7,9-10,12-15,20H,5,8,11,16H2,1-4H3,(H,23,25)/t20-/m1/s1
InChIKeyCRIFDMIMZRUNQQ-HXUWFJFHSA-N
MW418.56 g/mol
LogP3.82
Rot. Bonds10

About N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide

N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide (PubChem CID 99132737) has the molecular formula C22H30N2O4S and a molecular weight of 418.56 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
PubChem CID99132737
Molecular FormulaC22H30N2O4S
Molecular Weight418.56 g/mol
Exact Mass418.19
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
SMILESCC[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)cc1
InChIInChI=1S/C22H30N2O4S/c1-5-20(18-12-14-19(28-3)15-13-18)23-22(25)11-8-16-24(29(4,26)27)21-10-7-6-9-17(21)2/h6-7,9-10,12-15,20H,5,8,11,16H2,1-4H3,(H,23,25)/t20-/m1/s1
InChIKeyCRIFDMIMZRUNQQ-HXUWFJFHSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.56
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132545
N-[1-(3,4-dimethylphenyl)propyl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132669688
4-(4-ethoxy-N-methylsulfonylanilino)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 124561484
4-(2-methyl-N-methylsulfonylanilino)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]butanamide
CID 133191693
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132422
4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
4-(2-methyl-N-methylsulfonylanilino)-N-propan-2-ylbutanamide
CID 53288213
2-(2,6-dimethyl-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43896154
2-(2-methoxy-N-methylsulfonylanilino)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43885818
4-(2-fluoro-N-methylsulfonylanilino)-N-[(1S)-1-phenylpropyl]butanamide
CID 99132564
4-(2-methyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)-phenylmethyl]butanamide
CID 133186861
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)propyl]acetamide
CID 92685281

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide (CID 99132737) is N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide is CC[C@@H](NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O)c1ccc(OC)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide?
The InChIKey is CRIFDMIMZRUNQQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N2O4S/c1-5-20(18-12-14-19(28-3)15-13-18)23-22(25)11-8-16-24(29(4,26)27)21-10-7-6-9-17(21)2/h6-7,9-10,12-15,20H,5,8,11,16H2,1-4H3,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide?
N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide has a molecular weight of 418.56 g/mol, XLogP of 3.82, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)propyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 99132737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).