2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

C27H35N3O4S — CID 20919118

IUPAC2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(OC(C)C)cc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C27H35N3O4S/c1-4-25(27(31)28-19-21-8-10-23(11-9-21)34-20(2)3)30-17-14-22-18-24(12-13-26(22)30)35(32,33)29-15-6-5-7-16-29/h8-14,17-18,20,25H,4-7,15-16,19H2,1-3H3,(H,28,31)
InChIKeyBTKROQPSJLKTRT-UHFFFAOYSA-N
MW497.66 g/mol
LogP4.87
Rot. Bonds9

About 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide

2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (PubChem CID 20919118) has the molecular formula C27H35N3O4S and a molecular weight of 497.66 g/mol. Its IUPAC name is 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
PubChem CID20919118
Molecular FormulaC27H35N3O4S
Molecular Weight497.66 g/mol
Exact Mass497.23
IUPAC Name2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
SMILESCCC(C(=O)NCc1ccc(OC(C)C)cc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C27H35N3O4S/c1-4-25(27(31)28-19-21-8-10-23(11-9-21)34-20(2)3)30-17-14-22-18-24(12-13-26(22)30)35(32,33)29-15-6-5-7-16-29/h8-14,17-18,20,25H,4-7,15-16,19H2,1-3H3,(H,28,31)
InChIKeyBTKROQPSJLKTRT-UHFFFAOYSA-N
XLogP4.87
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 20919093
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20919077
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20918891
(2S)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706434
(2R)-N-[(2-methoxyphenyl)methyl]-2-(5-piperidin-1-ylsulfonylindol-1-yl)butanamide
CID 92706435
1-(1-ethylindol-5-yl)sulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidine-3-carboxamide
CID 20966244
2-methyl-5-piperidin-1-ylsulfonyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46772880
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 53281743
N-[(4-methoxyphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 24789970
1-[(4-piperidin-1-ylsulfonylphenyl)methyl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 55909982
N-[(3-piperidin-1-ylsulfonylphenyl)methyl]-4-propan-2-yloxybenzamide
CID 66872598
(2R)-N-cyclopropyl-2-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propanamide
CID 92723149

Frequently Asked Questions

What is the IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The IUPAC name of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide (CID 20919118) is 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide.
What is the SMILES notation for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The canonical SMILES for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is CCC(C(=O)NCc1ccc(OC(C)C)cc1)n1ccc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
The InChIKey is BTKROQPSJLKTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4S/c1-4-25(27(31)28-19-21-8-10-23(11-9-21)34-20(2)3)30-17-14-22-18-24(12-13-26(22)30)35(32,33)29-15-6-5-7-16-29/h8-14,17-18,20,25H,4-7,15-16,19H2,1-3H3,(H,28,31).
What are the key properties of 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide?
2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide has a molecular weight of 497.66 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-piperidin-1-ylsulfonylindol-1-yl)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide is sourced from PubChem (CID 20919118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).