N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide

C27H27FN2O3S — CID 30560337

IUPACN-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)cc1
InChIInChI=1S/C27H27FN2O3S/c1-2-3-7-20-12-14-23(15-13-20)29-27(31)18-30-17-26(24-10-4-5-11-25(24)30)34(32,33)19-21-8-6-9-22(28)16-21/h4-6,8-17H,2-3,7,18-19H2,1H3,(H,29,31)
InChIKeyXDBXEFRYFBCCET-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.74
Rot. Bonds9

About N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide

N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (PubChem CID 30560337) has the molecular formula C27H27FN2O3S and a molecular weight of 478.59 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
PubChem CID30560337
Molecular FormulaC27H27FN2O3S
Molecular Weight478.59 g/mol
Exact Mass478.17
IUPAC NameN-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
SMILESCCCCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)cc1
InChIInChI=1S/C27H27FN2O3S/c1-2-3-7-20-12-14-23(15-13-20)29-27(31)18-30-17-26(24-10-4-5-11-25(24)30)34(32,33)19-21-8-6-9-22(28)16-21/h4-6,8-17H,2-3,7,18-19H2,1H3,(H,29,31)
InChIKeyXDBXEFRYFBCCET-UHFFFAOYSA-N
XLogP5.74
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292300
butyl 4-[[2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30560754
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
2-[3-[(4-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(4-ethylphenyl)acetamide
CID 30292020
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(3-methoxypropyl)acetamide
CID 30560175
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 30292321
2-[3-[(3-methylphenyl)methylsulfonyl]indol-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 30292566
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
N,N-dibenzyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560042
2-(3-benzylsulfonylindol-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30558781
N-ethyl-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-phenylacetamide
CID 30292283

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The IUPAC name of N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide (CID 30560337) is N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide.
What is the SMILES notation for N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The canonical SMILES for N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is CCCCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3cccc(F)c3)c3ccccc32)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
The InChIKey is XDBXEFRYFBCCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN2O3S/c1-2-3-7-20-12-14-23(15-13-20)29-27(31)18-30-17-26(24-10-4-5-11-25(24)30)34(32,33)19-21-8-6-9-22(28)16-21/h4-6,8-17H,2-3,7,18-19H2,1H3,(H,29,31).
What are the key properties of N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide?
N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide has a molecular weight of 478.59 g/mol, XLogP of 5.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide is sourced from PubChem (CID 30560337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).