4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide

C23H27N3O3S — CID 7926214

IUPAC4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H27N3O3S/c27-23(13-6-8-18-17-24-22-12-3-2-11-21(18)22)25-19-9-7-10-20(16-19)30(28,29)26-14-4-1-5-15-26/h2-3,7,9-12,16-17,24H,1,4-6,8,13-15H2,(H,25,27)
InChIKeyKKSKRMLZUQBYFU-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.30
Rot. Bonds7

About 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide

4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide (PubChem CID 7926214) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
PubChem CID7926214
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
SMILESO=C(CCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H27N3O3S/c27-23(13-6-8-18-17-24-22-12-3-2-11-21(18)22)25-19-9-7-10-20(16-19)30(28,29)26-14-4-1-5-15-26/h2-3,7,9-12,16-17,24H,1,4-6,8,13-15H2,(H,25,27)
InChIKeyKKSKRMLZUQBYFU-UHFFFAOYSA-N
XLogP4.30
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[3-(azepan-1-ylsulfonyl)anilino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate
CID 4874930
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 27672602
2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 26888667
3-(1H-indol-3-yl)-N-(3-sulfamoylphenyl)propanamide
CID 26580490
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
4-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)butanamide
CID 110312103
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
2-naphthalen-1-yl-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7926207
N-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-(1H-indol-3-yl)propanamide
CID 4816933
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
The IUPAC name of 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide (CID 7926214) is 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
The canonical SMILES for 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide is O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
The InChIKey is KKSKRMLZUQBYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c27-23(13-6-8-18-17-24-22-12-3-2-11-21(18)22)25-19-9-7-10-20(16-19)30(28,29)26-14-4-1-5-15-26/h2-3,7,9-12,16-17,24H,1,4-6,8,13-15H2,(H,25,27).
What are the key properties of 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide?
4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide has a molecular weight of 425.55 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 7926214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).