N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide

C16H26N2O4S — CID 99132825

IUPACN-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCC[C@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-13(2)17-16(19)11-8-12-18(23(4,20)21)14-9-6-7-10-15(14)22-3/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyUIMWIDVYVLMXFJ-ZDUSSCGKSA-N
MW342.46 g/mol
LogP2.16
Rot. Bonds9

About N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide

N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide (PubChem CID 99132825) has the molecular formula C16H26N2O4S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
PubChem CID99132825
Molecular FormulaC16H26N2O4S
Molecular Weight342.46 g/mol
Exact Mass342.16
IUPAC NameN-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
SMILESCC[C@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O4S/c1-5-13(2)17-16(19)11-8-12-18(23(4,20)21)14-9-6-7-10-15(14)22-3/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,17,19)/t13-/m0/s1
InChIKeyUIMWIDVYVLMXFJ-ZDUSSCGKSA-N
XLogP2.16
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-N-methylsulfonylanilino)-N-(1-phenylethyl)butanamide
CID 132659275
4-(2-methoxy-N-methylsulfonylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99132826
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133210923
4-(2-methoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 53288329
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 99132883
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
4-(2-methoxy-N-methylsulfonylanilino)-N-[(R)-(2-methylphenyl)-phenylmethyl]butanamide
CID 125052831
4-(2,3-dimethyl-N-methylsulfonylanilino)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133187595
N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145132
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 133230550
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)-N-[(4-methoxyphenyl)methyl]butanamide
CID 125105549
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-N-[(2-fluorophenyl)methyl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 125103474

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide (CID 99132825) is N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide is CC[C@H](C)NC(=O)CCCN(c1ccccc1OC)S(C)(=O)=O.
What is the InChIKey of N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
The InChIKey is UIMWIDVYVLMXFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N2O4S/c1-5-13(2)17-16(19)11-8-12-18(23(4,20)21)14-9-6-7-10-15(14)22-3/h6-7,9-10,13H,5,8,11-12H2,1-4H3,(H,17,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide?
N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide has a molecular weight of 342.46 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-4-(2-methoxy-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 99132825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).