N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide

C23H31N3O5S — CID 133262283

IUPACN-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O5S/c1-5-17(2)24-23(28)20-9-6-7-10-21(20)25-22(27)11-8-16-26(32(4,29)30)18-12-14-19(31-3)15-13-18/h6-7,9-10,12-15,17H,5,8,11,16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyXZWLEGDIZTUMRM-UHFFFAOYSA-N
MW461.58 g/mol
LogP3.41
Rot. Bonds11

About N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide

N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide (PubChem CID 133262283) has the molecular formula C23H31N3O5S and a molecular weight of 461.58 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
PubChem CID133262283
Molecular FormulaC23H31N3O5S
Molecular Weight461.58 g/mol
Exact Mass461.20
IUPAC NameN-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide
SMILESCCC(C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O
InChIInChI=1S/C23H31N3O5S/c1-5-17(2)24-23(28)20-9-6-7-10-21(20)25-22(27)11-8-16-26(32(4,29)30)18-12-14-19(31-3)15-13-18/h6-7,9-10,12-15,17H,5,8,11,16H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyXZWLEGDIZTUMRM-UHFFFAOYSA-N
XLogP3.41
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-butan-2-yl]-2-[[2-(2,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126122626
N-[(2S)-butan-2-yl]-2-[[2-(3,4-dimethoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 126154518
N-butan-2-yl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 2942479
4-(4-methoxy-N-methylsulfonylanilino)-N-(3-methylbutan-2-yl)butanamide
CID 133250137
N-[(2R)-butan-2-yl]-2-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)acetyl]amino]benzamide
CID 2193587
N-(2,4-dimethylpentan-3-yl)-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 53286587
N-butan-2-yl-2-[4-(methylamino)butanoylamino]benzamide
CID 60843100
N-butan-2-yl-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]amino]benzamide
CID 2943245
2-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]butanoylamino]-N-propan-2-ylbenzamide
CID 100551498
N-benzyl-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 125084524
2-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]-N-propan-2-ylbenzamide
CID 21367609
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
The IUPAC name of N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide (CID 133262283) is N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
The canonical SMILES for N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide is CCC(C)NC(=O)c1ccccc1NC(=O)CCCN(c1ccc(OC)cc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
The InChIKey is XZWLEGDIZTUMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5S/c1-5-17(2)24-23(28)20-9-6-7-10-21(20)25-22(27)11-8-16-26(32(4,29)30)18-12-14-19(31-3)15-13-18/h6-7,9-10,12-15,17H,5,8,11,16H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide?
N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide has a molecular weight of 461.58 g/mol, XLogP of 3.41, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(4-methoxy-N-methylsulfonylanilino)butanoylamino]benzamide is sourced from PubChem (CID 133262283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).