3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

C21H26N2O4S — CID 17149736

IUPAC3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-3-16(2)27-19-8-6-7-17(15-19)21(24)22-18-9-11-20(12-10-18)28(25,26)23-13-4-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyDVSMLKLBYQVTPL-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.90
Rot. Bonds7

About 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide

3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (PubChem CID 17149736) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
PubChem CID17149736
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
SMILESCCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N2O4S/c1-3-16(2)27-19-8-6-7-17(15-19)21(24)22-18-9-11-20(12-10-18)28(25,26)23-13-4-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24)
InChIKeyDVSMLKLBYQVTPL-UHFFFAOYSA-N
XLogP3.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylpropoxy)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 17140290
3-piperidin-1-ylsulfonyl-N-(4-propan-2-yloxyphenyl)benzamide
CID 66872671
3-butan-2-yloxy-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 17149747
3-butan-2-yloxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17149776
N-(4-butan-2-ylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 17226901
3-butan-2-yloxy-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 17149762
propan-2-yl 4-[[3-[(2R)-butan-2-yl]oxybenzoyl]amino]benzoate
CID 40769471
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
propan-2-yl 4-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 7733570
3-(methylsulfamoyl)-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 100619897
N-[4-[(2R)-butan-2-yl]phenyl]-4-piperidin-1-ylsulfonylbenzamide
CID 7935734
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(3-methylphenoxy)butanamide
CID 4928488

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide (CID 17149736) is 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is CCC(C)Oc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1.
What is the InChIKey of 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is DVSMLKLBYQVTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-3-16(2)27-19-8-6-7-17(15-19)21(24)22-18-9-11-20(12-10-18)28(25,26)23-13-4-5-14-23/h6-12,15-16H,3-5,13-14H2,1-2H3,(H,22,24).
What are the key properties of 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide?
3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 17149736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).